SCHEMBL16624038

SCHEMBL16624038

Cc1nc(=O)[nH]c(=O)n1Cc1ccc(C(F)(F)F)s1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 5/20 0.36
GRIN2B Q13224 5/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
TLR7 Q9NYK1 7/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MCHR1 Q99705 1/20 0.32
MAPK1 P28482 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TPH1 P17752 1/20 0.32
TPH2 Q8IWU9 1/20 0.32

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
SCHEMBL16544605 0.80 GRIN1 (0.40) GRIN1GRIN2BKDM4EALDH1A1HPGD
SCHEMBL16624116 0.77 GRIN1 (0.36) GRIN1GRIN2BKDM4EALDH1A1HPGD
SCHEMBL16422674 0.75 GRIN1 (0.35) GRIN1GRIN2BKDM4ETSHRMCHR1
SCHEMBL16544606 0.73 GRIN1 (0.37) GRIN1GRIN2BKDM4EALDH1A1HPGD
SCHEMBL16422753 0.72 ALDH1A1 (0.41) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL18033563 0.72 GRIN1 (0.35) GRIN1GRIN2BMCHR1
SCHEMBL17993842 0.72 GRIN1 (0.33) GRIN1GRIN2B
SCHEMBL16544604 0.71 GRIN1 (0.36) GRIN1GRIN2BTSHRMCHR1MAPK1
SCHEMBL16544621 0.71 GRIN1 (0.36) GRIN1GRIN2BTSHRMCHR1
SCHEMBL3517522 0.71 CSNK1E (0.35) KDM4EALDH1A1HPGDTLR7TSHR

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
US-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-18 US disclosed
US-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-18 US disclosed
US-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-18 US disclosed
EP-3053917-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nissan Chemical Industries, Ltd. (JP) 2016-08-10 EP disclosed
EP-3053917-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nissan Chemical Industries, Ltd. (JP) 2016-08-10 EP disclosed
WO-2015050212-A1 T-TYPE CALCIUM CHANNEL BLOCKER 日産化学工業株式会社 2015-04-09 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-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1I, CACNA1G, CACNA1H GRIN1 1068/4885GRIN2B 1695/4885KDM4E 3594/4885

“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.