Dinitro Cresol

Dinitro Cresol

SCHEMBL43355

Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O.c1cn[nH]c1

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.69
GPR35 Q9HC97 6/20 0.69
MAPT P10636 8/20 0.47
KDM4E B2RXH2 5/20 0.47
KMT2A Q03164 5/20 0.47
HPGD P15428 4/20 0.47
MEN1 O00255 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
MAPK1 P28482 3/20 0.47
ALOX15 P16050 2/20 0.47
ALOX12 P18054 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TTR P02766 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
RECQL P46063 1/20 0.47
PMP22 Q01453 1/20 0.47
HIF1A Q16665 1/20 0.47
HTT P42858 3/20 0.41
GAA P10253 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Dinitro Cresol SCHEMBL1716451 0.83 GPR35 (0.93) ALDH1A1GPR35MAPTKDM4EKMT2A
Dinitro Cresol SCHEMBL8873755 0.83 GPR35 (1.00) ALDH1A1GPR35MAPTKDM4EKMT2A
Dinitro Cresol SCHEMBL20734 0.83 GPR35 (1.00) ALDH1A1GPR35MAPTKDM4EKMT2A
Dinitro Cresol SCHEMBL29430312 0.83 GPR35 (1.00) ALDH1A1GPR35MAPTKDM4EKMT2A
Dinitro Cresol SCHEMBL7554038 0.82 ALDH1A1 (0.68) ALDH1A1GPR35MAPTKDM4EKMT2A
Dinitro Cresol SCHEMBL2549698 0.82 GPR35 (0.89) ALDH1A1GPR35MAPTKDM4EKMT2A
Dinitro Cresol SCHEMBL7108490 0.82 GPR35 (0.96) ALDH1A1GPR35MAPTKDM4EKMT2A
Dinitro Cresol SCHEMBL1260257 0.82 GPR35 (0.96) ALDH1A1GPR35MAPTKDM4EKMT2A
Dinitro Cresol SCHEMBL9640831 0.82 GPR35 (0.96) ALDH1A1GPR35MAPTKDM4EKMT2A
Dinitro Cresol SCHEMBL11029120 0.82 GPR35 (0.96) ALDH1A1GPR35MAPTKDM4EKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2444807-B1 MONO- AND DINITROPYRAZOLE HAPTEN CONJUGATES VENTANA MED SYST INC (US) 2014-06-11 EP claimed
EP-2444806-B1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MED SYST INC (US) 2014-05-28 EP claimed
EP-2444806-A2 Haptens, hapten conjugates, compositions thereof and method for their preparation and use Ventana Medical Systems, Inc. (US) 2012-04-25 EP claimed
EP-2444807-A2 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE Ventana Medical Systems, Inc. (US) 2012-04-25 EP claimed
EP-2078197-A2 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE Ventana Medical Systems, Inc. (US) 2009-07-15 EP claimed
WO-2008063378-A9 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE VENTANA MED SYST INC (US) 2008-07-31 WO claimed
WO-2008063378-A2 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE VENTANA MEDICAL SYSTEMS, INC. (US) 2008-05-29 WO claimed
US-11092594-B2 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. (US) 2021-08-17 US disclosed
EP-3564674-A1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE Ventana Medical Systems, Inc. (US) 2019-11-06 EP disclosed
US-20180120306-A1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE VENTANA MED SYST INC (US) 2018-05-03 US disclosed
EP-3276349-A1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE Ventana Medical Systems, Inc. (US) 2018-01-31 EP disclosed
US-9719986-B2 Haptens, hapten conjugates, compositions thereof preparation and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. (US) 2017-08-01 US disclosed
EP-3029461-A1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE Ventana Medical Systems, Inc. (US) 2016-06-08 EP disclosed
US-20100297725-A1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. 2010-11-25 US disclosed
US-20100184087-A1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. 2010-07-22 US disclosed
US-7695929-B2 Derivatives containing oxazole, pyrazole, thiazole, nitroaryl compound, benzofurazan, triterpene, urea, thiourea, rotenoid, coumarin or cyclolignan such as 4-(2-hydroxyphenyl)-1H-benzo[b][1,4]diazepine-2(3H)-one; multiplexed diagnostic assay for multiple targets in sample; antibodies; kits VENTANA MEDICAL SYSTEMS, INC. (US) 2010-04-13 US disclosed
EP-2078197-A2 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE Ventana Medical Systems, Inc. (US) 2009-07-15 EP disclosed
US-20080268462-A1 Derivatives containing oxazole, pyrazole, thiazole, nitroaryl compound, benzofurazan, triterpene, urea, thiourea, rotenoid, coumarin or cyclolignan such as 4-(2-hydroxyphenyl)-1H-benzo[b][1,4]diazepine-2(3H)-one; multiplexed diagnostic assay for multiple targets in sample; antibodies; kits VENTANA MEDICAL SYSTEMS, INC. 2008-10-30 US disclosed
WO-2008063378-A9 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE VENTANA MED SYST INC (US) 2008-07-31 WO disclosed
WO-2008063378-A2 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE VENTANA MEDICAL SYSTEMS, INC. (US) 2008-05-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080268462-A1 Derivatives containing oxazole, pyrazole, thiazole, nitroaryl compound, benzofurazan, triterpene, urea, thiourea, rotenoid, coumarin or cyclolignan such as 4-(2-hydroxyphenyl)-1H-benzo[b][1,4]diazepine-2(3H)-one; multiplexed diagnostic assay for multiple targets in sample; antibodies; kits HRH4, CRBN, NCDN ALDH1A1 2096/4885GPR35 311/4885MAPT 3454/4885
US-20180120306-A1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE CRBN, AHR, RORB ALDH1A1 2734/4885GPR35 217/4885MAPT 2927/4885
US-20100297725-A1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use CRBN, GABBR1, SHBG ALDH1A1 3347/4885GPR35 310/4885MAPT 2915/4885
US-11092594-B2 Haptens, hapten conjugates, compositions thereof and method for their preparation and use CRBN, AHR, RORB ALDH1A1 2734/4885GPR35 217/4885MAPT 2927/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.