SCHEMBL7684431

SCHEMBL7684431

Cc1ccc(OC(F)F)s1

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.31
RAB9A P51151 2/20 0.31
DAO P14920 1/20 0.31
NPC1 O15118 1/20 0.31
CASP3 P42574 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
PRMT6 Q96LA8 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
SCHEMBL16434761 0.74
SCHEMBL18626712 0.72 PRMT6 (0.31) PRMT6
SCHEMBL14392968 0.72 MCHR1 (0.32) PRMT6
SCHEMBL434813 0.70
SCHEMBL14447029 0.70 TDP1 (0.47) MAPTRAB9ADAONPC1SMN1; SMN2
SCHEMBL9223282 0.69
SCHEMBL14960905 0.69
SCHEMBL15241843 0.69
SCHEMBL30762009 0.68 DRD1 (0.39) ALDH1A1
SCHEMBL12778099 0.68 DAO (0.31) MAPTRAB9ADAONPC1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6436961-B1 SUBSTANCE P RECEPTOR ANTAGONIST; 2-PHENYL-3-BENZYLAMINOPIPERIDINES PFIZER INC 2002-08-20 US claimed
US-20160340322-A1 SUBSTITUTED TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-11-24 US disclosed
US-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-18 US disclosed
US-9403798-B2 Triazinone compound and T-type calcium channel inhibitor NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-02 US disclosed
US-20150065705-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL CORPORATION (JP) 2015-03-05 US 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 (3 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-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1I, CACNA1G, CACNA1H MAPT 479/4885RAB9A 1346/4885DAO 1508/4885
US-20160340322-A1 SUBSTITUTED TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1E, CACNA1I, CACNA1G MAPT 1295/4885RAB9A 3448/4885DAO 2091/4885
US-20150065705-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1E, CACNA1I, CACNA1G MAPT 627/4885RAB9A 3857/4885DAO 3164/4885

“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.