SCHEMBL472847

SCHEMBL472847

COc1ccc(-c2oc(Cl)nc2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ENPP3 O14638 1/20 0.42
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
CASP3 P42574 1/20 0.40
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.39

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
SCHEMBL3105040 0.83 ALDH1A1 (0.45) NPC1RAB9AKMT2AALDH1A1HPGD
SCHEMBL472833 0.82 KDM4E (0.41) NPC1RAB9AKMT2AALDH1A1HPGD
SCHEMBL11748634 0.79 SMN1; SMN2 (0.50) NPC1RAB9AKMT2AALDH1A1HPGD
SCHEMBL11753849 0.79 SMN1; SMN2 (0.50) NPC1RAB9AKMT2AALDH1A1HPGD
SCHEMBL472566 0.79 NPC1 (0.37) NPC1RAB9AKMT2AALDH1A1HPGD
SCHEMBL472491 0.79 NPC1 (0.42) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL11755271 0.78 ALDH1A1 (0.55) NPC1RAB9AKMT2AALDH1A1HPGD
SCHEMBL11748988 0.78 ALDH1A1 (0.55) NPC1RAB9AKMT2AALDH1A1HPGD
SCHEMBL472497 0.75 GAA (0.45) ALDH1A1KDM4E
SCHEMBL472556 0.75 MAPT (0.41) KMT2AMAPTMEN1CASP3ALOX5

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 NPC1 237/4885RAB9A 1734/4885KMT2A 4103/4885

“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.