SCHEMBL717364

SCHEMBL717364

Clc1[c]cc2c(c1)OCO2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.35
ABCG2 Q9UNQ0 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAP2K4 P45985 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAPK1 P28482 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
ATM Q13315 1/20 0.31
CMA1 P23946 1/20 0.31
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
KMT2A Q03164 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3076780 0.86 MAOB (0.33) MAOBTDP1NPC1RAB9ASMN1; SMN2
SCHEMBL14775559 0.83 SMN1; SMN2 (0.34) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1096290 0.73 CYP3A4 (0.35) CYP3A4ABCG2MAOBALDH1A1HSD17B10
SCHEMBL3113441 0.73 CYP3A4 (0.35) CYP3A4ABCG2ALDH1A1HSD17B10TDP1
SCHEMBL789550 0.73 CYP3A4 (0.35) CYP3A4ABCG2ALDH1A1HSD17B10TDP1
SCHEMBL7047825 0.73 CYP3A4 (0.35) CYP3A4ABCG2ALDH1A1HSD17B10TDP1
SCHEMBL11789243 0.73 MEN1 (0.37) CYP3A4ABCG2ALDH1A1HSD17B10TDP1
SCHEMBL8472910 0.72 ALDH1A1 (0.33) CYP3A4ABCG2MAOBALDH1A1TAAR1
SCHEMBL5302174 0.69 AHR (0.53) CYP3A4ABCG2MAOBALDH1A1HSD17B10
SCHEMBL30787730 0.69 AHR (0.53) CYP3A4ABCG2MAOBALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140100194-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA, NV (BE) 2014-04-10 US claimed
EP-2029614-B1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2013-01-23 EP claimed
US-8338412-B2 Inhibitors of P38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-25 US claimed
EP-1309560-B1 Pyridine derivatives as inhibitors of p38 VERTEX PHARMA (US) 2012-10-03 EP claimed
US-8242275-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-08-14 US claimed
US-8232391-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-07-31 US claimed
US-20120053347-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-01 US claimed
US-20110281878-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 US claimed
US-20110160163-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-30 US claimed
US-7951809-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 US claimed
CN-1306512-A Heterocyclic inhibitors of P38 VERTEX PHARMA (US) 2001-08-01 CN claimed
EP-1114039-A1 INHIBITORS OF p38 Vertex Pharmaceuticals Incorporated (US) 2001-07-11 EP claimed
EP-1086085-A1 INHIBITORS OF p38 Vertex Pharmaceuticals Incorporated (US) 2001-03-28 EP claimed
EP-1077943-A1 HETEROCYCLIC INHIBITORS OF P38 Vertex Pharmaceuticals Incorporated (US) 2001-02-28 EP claimed
WO-2000017175-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2000-03-30 WO claimed
CN-1244867-A Substituted nitrogen-containing heterocycles as P38 protein kinase inhibitors VERTEX PHARMA (US) 2000-02-16 CN claimed
WO-1999064400-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-12-16 WO claimed
WO-1999058502-A1 HETEROCYCLIC INHIBITORS OF P38 VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-11-18 WO claimed
EP-0951467-A1 SUBSTITUTED NITROGEN CONTAINING HETEROCYCLES AS INHIBITORS OF p38 PROTEIN KINASE Vertex Pharmaceuticals Incorporated (US) 1999-10-27 EP claimed
WO-1998027098-A1 SUBSTITUTED NITROGEN CONTAINING HETEROCYCLES AS INHIBITORS OF p38 PROTEIN KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-06-25 WO claimed

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-20110160163-A1 INHIBITORS OF p38 ZAP70, MAPK1, MAP3K20 CYP3A4 4862/4885ABCG2 4580/4885MAOB 3586/4885
US-20110281878-A1 INHIBITORS OF p38 MAPK1, MAPK3, MAP3K1 CYP3A4 4859/4885ABCG2 4092/4885MAOB 3756/4885
US-20120053347-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 CYP3A4 1655/4885ABCG2 1715/4885MAOB 2313/4885
US-20140100194-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 CYP3A4 1655/4885ABCG2 1715/4885MAOB 2313/4885

“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.