SCHEMBL18033564

SCHEMBL18033564

Cc1cc(C)c(-c2ncn(Cc3ccc(C(F)(F)F)s3)c(=O)n2)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 1/20 0.33
▸ GRIN1 Q05586 4/20 0.33
▸ GRIN2B Q13224 4/20 0.33
▸ MCHR1 Q99705 2/20 0.33
▸ LMNA P02545 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ SMN1; SMN2 Q16637 5/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ SENP8 Q96LD8 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ SENP6 Q9GZR1 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CRHR1 P34998 2/20 0.32
▸ POLB P06746 1/20 0.31

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
SCHEMBL18033563 0.81 GRIN1 (0.35) GRIN1GRIN2BMCHR1LMNASMN1; SMN2
SCHEMBL16434936 0.81 GRIN1 (0.37) DDR1GRIN1GRIN2BMCHR1SMN1; SMN2
SCHEMBL16434686 0.77 ROCK2 (0.36) GRIN1GRIN2BLMNASMN1; SMN2ALDH1A1
SCHEMBL16422555 0.76 SMN1; SMN2 (0.32) DDR1GRIN1GRIN2BMCHR1SMN1; SMN2
SCHEMBL18033572 0.72 S1PR1 (0.34) GRIN1GRIN2BMCHR1LMNAMAPT
SCHEMBL27989244 0.71 MCHR1 (0.32) GRIN1GRIN2BMCHR1SMN1; SMN2ALDH1A1
SCHEMBL18033574 0.71 SCN9A (0.37) DDR1GRIN1GRIN2BLMNAMAPT
SCHEMBL16423257 0.70 ENPP2 (0.33) LMNAMAPTALDH1A1HTTMEN1
SCHEMBL16422492 0.70 SCN9A (0.34) —
SCHEMBL16422283 0.70 CCNT1 (0.33) —

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 1 patent. 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

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 DDR1 3553/4885GRIN1 1068/4885GRIN2B 1695/4885

“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.

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