SCHEMBL472472

SCHEMBL472472

Cc1nc(Cl)oc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.45
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CYP1B1 Q16678 1/20 0.39
ALOX15 P16050 1/20 0.39
NOTUM Q6P988 2/20 0.39
KMO O15229 2/20 0.39
IKBKB O14920 2/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
CASP3 P42574 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL472410 0.85 ABL1 (0.40) KMOCYP1A2PTGS1PTGS2
SCHEMBL472456 0.81 GRM2 (0.41) NOTUMKMOCASP3CYP1A2MAPT
SCHEMBL472833 0.79 KDM4E (0.41) RAB9ANPC1NOTUMCASP3MAPT
SCHEMBL472426 0.78 NISCH (0.39) RAB9ANPC1KMOMAPTALDH1A1
SCHEMBL9954839 0.77 NPC1 (0.45) RAB9ANPC1NOTUMRXRARXRB
SCHEMBL9955622 0.77 RAB9A (0.45) RAB9ANPC1NOTUMRXRARXRB
SCHEMBL472566 0.76 NPC1 (0.37) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL472491 0.76 NPC1 (0.42) RAB9ANPC1MAPTHSD17B10PTGS1
SCHEMBL472488 0.76 PTGS2 (0.35) CYP1A2PTGS1PTGS2
SCHEMBL9955368 0.75 KDM4E (0.41) NOTUMMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2412372-A1 2-Aminooxazole derivatives for use as TRPV1 antagonists for treating i.a. pain, inflammation, neurodegenerative diseases or gastrointestinal diseases Abbott Laboratories (US) 2012-02-01 EP disclosed
US-7998993-B2 TRPV1 antagonists ABBOTT LABORATORIES (US) 2011-08-16 US disclosed
EP-2220059-B1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN ABBOTT LAB (US) 2011-08-03 EP disclosed
EP-2220059-A1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2010-08-25 EP disclosed
US-20090124666-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-05-14 US disclosed
WO-2009055749-A1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2009-04-30 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 (1 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-20090124666-A1 TRPV1 ANTAGONISTS TRPV1, TRPV2, TRPV3 AHR 620/4885RAB9A 1734/4885NPC1 237/4885

“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.