SCHEMBL472434

SCHEMBL472434

CCc1nc(Cl)oc1-c1ccc(Br)cn1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.35
CA2 P00918 1/20 0.34
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP1B1 Q16678 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
SCHEMBL472372 0.80 CA2 (0.33) GBA1CA2NPC1NFKB1MAPK1
SCHEMBL2296181 0.78 SMN1; SMN2 (0.36) NPC1MAPK1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL472387 0.74 GBA1 (0.38) GBA1CA2NPC1NFKB1MAPK1
SCHEMBL22510350 0.67 GBA1 (0.40) GBA1NPC1NFKB1MAPK1RAB9A
SCHEMBL40864 0.64 KDM4E (0.46) GBA1CA2NPC1NFKB1MAPK1
SCHEMBL472477 0.63 HEXA (0.50) NPC1RAB9A
SCHEMBL472500 0.63 NOTUM (0.35) SMN1; SMN2CYP1A2
SCHEMBL22467452 0.62 CYP1A2 (0.37) GBA1CA2NPC1NFKB1MAPK1
SCHEMBL472459 0.62 ADRA2A (0.33) GBA1CA2NPC1NFKB1MAPK1
SCHEMBL29442916 0.61 KDM4E (0.40) GBA1CA2NPC1NFKB1MAPK1

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 GBA1 1516/4885CA2 517/4885NPC1 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.