SCHEMBL472566

SCHEMBL472566

Cc1nc(Cl)oc1-c1ccc(Br)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.37
RAB9A P51151 6/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MAOB P27338 2/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAOA P21397 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DGAT1 O75907 1/20 0.34
TARBP2 Q15633 1/20 0.34
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL472833 0.85 KDM4E (0.41) NPC1RAB9ASMN1; SMN2TSHRKDM4E
SCHEMBL472491 0.81 NPC1 (0.42) NPC1RAB9ASMN1; SMN2TSHRHSD17B10
SCHEMBL9434736 0.81 NPC1 (0.39) NPC1RAB9ASMN1; SMN2MAOBTSHR
SCHEMBL472488 0.80 PTGS2 (0.35) PTGS2
SCHEMBL11754077 0.80 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2MAOBKDM4E
SCHEMBL11754349 0.80 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2MAOBKDM4E
SCHEMBL472847 0.79 NPC1 (0.45) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL2296181 0.77 SMN1; SMN2 (0.36) NPC1RAB9ASMN1; SMN2TSHRKDM4E
SCHEMBL472497 0.77 GAA (0.45) MAOBKDM4EALDH1A1GAAMAOA
SCHEMBL472556 0.77 MAPT (0.41) LMNAMEN1KMT2AMAPTPTGS2

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 1734/4885SMN1; SMN2 2299/4885

“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.