SCHEMBL1994033

SCHEMBL1994033

CCc1cccc(C)c1NN

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.49
NLRP3 Q96P20 1/20 0.47
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
POLB P06746 2/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GABRA1 P14867 2/20 0.41
GABRB2 P47870 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
Hydrochloric Acid SCHEMBL19552211 0.98 PTGS2 (0.47) PTGS2NLRP3ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1995046 0.87 GABRA1 (0.48) NLRP3ALDH1A1KDM4EMAPTALOX15
Bromide SCHEMBL20984906 0.85 GABRA1 (0.46) NLRP3ALDH1A1HTTKDM4EMAPT
Hydrochloric Acid SCHEMBL20575649 0.85 GABRA1 (0.46) NLRP3ALDH1A1HTTKDM4EMAPT
SCHEMBL16480275 0.81 PTGS2 (0.58) PTGS2NLRP3ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL11171249 0.81 PTGS2 (0.50) PTGS2NLRP3ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL2868352 0.81 SCN5A (0.50) PTGS2NLRP3ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1289385 0.79 GAA (0.44) ALDH1A1POLBMEN1KMT2ATDP1
SCHEMBL710531 0.79 KCNH2 (0.51) PTGS2NLRP3ALDH1A1SMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL2868350 0.79 PTGS2 (0.49) PTGS2NLRP3ALDH1A1SMN1; SMN2HSD17B10

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190119251-A1 AMIDE-SUBSTITUTED ARYLTRIAZOLE DERIVATIVES AND USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-04-25 US disclosed
EP-3452468-A1 AMIDE-SUBSTITUTED ARYLTRIAZOLE DERIVATIVES AND USES THEREOF Bayer Pharma Aktiengesellschaft (DE) 2019-03-13 EP disclosed
WO-2017191105-A1 AMIDE-SUBSTITUTED ARYLTRIAZOLE DERIVATIVES AND USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-09 WO disclosed
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-11-03 US disclosed
US-8022063-B2 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-09-20 US disclosed
EP-2336113-A1 CRTH2 Receptor Ligands for Medical Use 7TM Pharma A/S (DK) 2011-06-22 EP disclosed
US-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses 7TM PHARMA A/S (DK) 2009-04-16 US disclosed
EP-1758579-A1 CRTH2 RECEPTOR LIGANDS FOR MEDICINAL USES 7TM Pharma A/S (DK) 2007-03-07 EP disclosed
WO-2005115382-A1 CRTH2 RECEPTOR LIGANDS FOR MEDICINAL USES 7TM PHARMA A/S (DK) 2005-12-08 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 (3 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-20190119251-A1 AMIDE-SUBSTITUTED ARYLTRIAZOLE DERIVATIVES AND USES THEREOF AADAC, NAT1, GLS PTGS2 2296/4885NLRP3 122/4885ALDH1A1 446/4885
US-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses HRH1, HRH2, HRH3 PTGS2 102/4885NLRP3 1474/4885ALDH1A1 532/4885
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses HRH1, HRH2, HRH4 PTGS2 98/4885NLRP3 1414/4885ALDH1A1 505/4885

“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.