SCHEMBL472497

SCHEMBL472497

Cc1nc(Cl)oc1-c1ccc(C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
ALDH1A1 P00352 1/20 0.39
CYP2A6 P11509 1/20 0.39
GSK3B P49841 1/20 0.38
NOTUM Q6P988 2/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B2 P19099 2/20 0.37
RHEB Q15382 1/20 0.37
KIF11 P52732 1/20 0.37
KDM4E B2RXH2 1/20 0.37
EGLN2 Q96KS0 1/20 0.36
MMP3 P08254 1/20 0.36
HSD11B1 P28845 3/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PGR P06401 1/20 0.36

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 0.80 KDM4E (0.41) GAAALDH1A1NOTUMKDM4E
SCHEMBL472394 0.78 NR1H4 (0.39) KIF11
SCHEMBL472491 0.77 NPC1 (0.42)
SCHEMBL472566 0.77 NPC1 (0.37) GAAALDH1A1KDM4EMAOAMAOB
SCHEMBL472847 0.75 NPC1 (0.45) ALDH1A1KDM4E
SCHEMBL472556 0.73 MAPT (0.41) NOTUMKIF11
SCHEMBL472472 0.72 AHR (0.45) ALDH1A1NOTUMKDM4EHSD11B1
SCHEMBL472451 0.69 NOTUM (0.47) GAAALDH1A1CYP2A6GSK3BNOTUM
SCHEMBL472410 0.69 ABL1 (0.40) EGLN2PGR
SCHEMBL472426 0.69 NISCH (0.39) ALDH1A1

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 GAA 3675/4885ALDH1A1 2031/4885CYP2A6 1757/4885

“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.