SCHEMBL1754976

SCHEMBL1754976

CC(C)(C)OC(=O)NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 4/20 0.55
POLB P06746 1/20 0.50
GAA P10253 2/20 0.49
RECQL P46063 1/20 0.49
LMNA P02545 5/20 0.48
MAPK1 P28482 5/20 0.48
TDP1 Q9NUW8 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.47
HTT P42858 2/20 0.47
BRD4 O60885 1/20 0.46
HCAR3 P49019 2/20 0.46

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
SCHEMBL14937157 0.93 MAPT (0.59) MAPTKDM4EALDH1A1POLBGAA
SCHEMBL30103415 0.90 MAPT (0.51) MAPTKDM4EALDH1A1POLBGAA
SCHEMBL26830864 0.90 MAPT (0.51) MAPTKDM4EALDH1A1POLBGAA
SCHEMBL2144713 0.87 HCAR3 (0.45) MAPTKDM4EALDH1A1GAALMNA
SCHEMBL28722399 0.85 PKM (0.57) MAPTKDM4EALDH1A1GAALMNA
SCHEMBL2245654 0.85 MAPT (0.56) MAPTALDH1A1GAALMNAKMT2A
SCHEMBL8117662 0.85 GAA (0.60) MAPTALDH1A1POLBGAALMNA
SCHEMBL2982740 0.84 NPC1 (0.59) MAPTALDH1A1GAALMNAKMT2A
SCHEMBL29655446 0.84 NPC1 (0.59) MAPTALDH1A1GAALMNAKMT2A
SCHEMBL2061142 0.84 KMT2A (0.50) MAPTALDH1A1GAARECQLLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-3276349-B1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE VENTANA MED SYST INC (US) 2019-08-07 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-3029461-B1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE VENTANA MED SYST INC (US) 2017-12-20 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
EP-2078197-B1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE VENTANA MED SYST INC (US) 2016-03-23 EP disclosed
US-20140323336-A1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE VENTANA MEDICAL SYSTEMS, INC. (US) 2014-10-30 US disclosed
US-8846320-B2 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. (US) 2014-09-30 US disclosed
EP-2444807-B1 MONO- AND DINITROPYRAZOLE HAPTEN CONJUGATES VENTANA MED SYST INC (US) 2014-06-11 EP disclosed
EP-2442107-B1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MED SYST INC (US) 2014-03-12 EP disclosed
EP-2444807-A2 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE Ventana Medical Systems, Inc. (US) 2012-04-25 EP disclosed
EP-2444806-A2 Haptens, hapten conjugates, compositions thereof and method for their preparation and use Ventana Medical Systems, Inc. (US) 2012-04-25 EP disclosed
EP-2442107-A2 Haptens, hapten conjugates, compositions thereof and method for their preparation and use Ventana Medical Systems, Inc. (US) 2012-04-18 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
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 MAPT 3454/4885KDM4E 3532/4885ALDH1A1 2096/4885
US-20180120306-A1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE CRBN, AHR, RORB MAPT 2927/4885KDM4E 3929/4885ALDH1A1 2734/4885
US-20100297725-A1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use CRBN, GABBR1, SHBG MAPT 2915/4885KDM4E 3907/4885ALDH1A1 3347/4885
US-11092594-B2 Haptens, hapten conjugates, compositions thereof and method for their preparation and use CRBN, AHR, RORB MAPT 2927/4885KDM4E 3929/4885ALDH1A1 2734/4885

“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.