SCHEMBL472498

SCHEMBL472498

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.45
GSR P00390 1/20 0.40
CASP3 P42574 2/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
NOTUM Q6P988 2/20 0.36
ADORA1 P30542 1/20 0.36
NPC1 O15118 2/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
MYC P01106 1/20 0.35
WDR5 P61964 1/20 0.35
TRPV1 Q8NER1 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL11755633 0.78 MEN1 (0.44) KIF11GSRCASP3NOTUMTRPV1
SCHEMBL27244036 0.76 MEN1 (0.43) KIF11CASP3NOTUMNPC1LMNA
SCHEMBL472556 0.76 MAPT (0.41) KIF11CASP3NOTUMLMNATHRB
SCHEMBL472575 0.74 CASP3 (0.39) KIF11CASP3NOTUMTRPV1KDM4E
SCHEMBL11752616 0.74 STAT3 (0.44) KIF11CASP3KDM4EMEN1KMT2A
SCHEMBL11756970 0.74 STAT3 (0.44) KIF11CASP3KDM4EMEN1KMT2A
SCHEMBL472695 0.73 CASP3 (0.38) KIF11CASP3NOTUMTRPV1MEN1
SCHEMBL11749503 0.73 MEN1 (0.54) KIF11MEN1KMT2A
SCHEMBL472477 0.73 HEXA (0.50) KIF11CASP3NPC1LMNATHRB
SCHEMBL11752547 0.73 MEN1 (0.54) KIF11MEN1KMT2A

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 7 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
CN-101835762-A 2-aminooxazole derivatives as TRPV antagonists useful for the treatment of pain ABBOTT LAB 2010-09-15 CN 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 KIF11 4072/4885GSR 2036/4885CASP3 2715/4885

“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.