SCHEMBL4492489

SCHEMBL4492489

O=C(NCCc1c[nH]c2ccccc12)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.83
MEN1 O00255 6/20 0.70
KMT2A Q03164 6/20 0.70
NPC1 O15118 3/20 0.70
RAB9A P51151 3/20 0.70
SIRT1 Q96EB6 3/20 0.67
LMNA P02545 1/20 0.66
MAPT P10636 1/20 0.66
HTT P42858 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
CDK4 P11802 5/20 0.65
CCND1 P24385 5/20 0.65
GOT1 P17174 2/20 0.64
POLB P06746 1/20 0.60
HDAC4 P56524 1/20 0.60

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
SCHEMBL23925563 0.85 MTNR1A (0.63) TRPV1MEN1KMT2ALMNAMAPT
SCHEMBL797879 0.83 MEN1 (0.76) TRPV1MEN1KMT2ANPC1RAB9A
SCHEMBL4331421 0.82 MEN1 (1.00) TRPV1MEN1KMT2ANPC1RAB9A
SCHEMBL23925488 0.82 MEN1 (0.82) TRPV1MEN1KMT2ANPC1RAB9A
SCHEMBL14082661 0.81 TRPV1 (0.73) TRPV1MEN1KMT2ANPC1RAB9A
SCHEMBL15047821 0.79 MEN1 (0.82) TRPV1MEN1KMT2ANPC1RAB9A
Cyanide SCHEMBL31484737 0.79 MEN1 (0.92) TRPV1MEN1KMT2ANPC1RAB9A
SCHEMBL2944294 0.79 CYP19A1 (0.70) TRPV1MEN1KMT2A
SCHEMBL1972441 0.79 USP2 (0.77) TRPV1MEN1KMT2ANPC1RAB9A
SCHEMBL29991148 0.79 USP2 (0.77) TRPV1MEN1KMT2ANPC1RAB9A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
CN-101321749-A Novel vinylogous acid derivatives HOFFMANN LA ROCHE (CH) 2008-12-10 CN disclosed
EP-1957483-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP disclosed
WO-2007063010-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 US disclosed
US-6852734-B2 Indole derivatives exhibiting chymase-inhibitory activities and process for preparation thereof MEIJI SEIKA KAISHA, LTD. (JP) 2005-02-08 US disclosed
US-20040058963-A1 Novel indole derivatives exhibiting chymase-inhibitory activities and process for preparation thereof MEIJI SEIKA KAISHA, LTD. (JP) 2004-03-25 US disclosed
EP-1284266-A1 NOVEL INDOLE DERIVATIVES EXHIBITING CHYMASE-INHIBITORY ACTIVITIES AND PROCESS FOR PREPARATION THEREOF MEIJI SEIKA KAISHA LTD. (JP) 2003-02-19 EP 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 (2 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-20070129421-A1 Vinylogous acid derivatives CMA1, TPSG1, TPSAB1 TRPV1 794/4885MEN1 713/4885KMT2A 2349/4885
US-20040058963-A1 Novel indole derivatives exhibiting chymase-inhibitory activities and process for preparation thereof CMA1, TPSD1, IDO1 TRPV1 3038/4885MEN1 2387/4885KMT2A 2366/4885

“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.