SCHEMBL17240403

SCHEMBL17240403

O=C(COc1ccccc1Cl)NCc1ccc(OCC(F)(F)F)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.54
NPSR1 Q6W5P4 1/20 0.53
HPGD P15428 2/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 2/20 0.45
MAPT P10636 1/20 0.45
LMNA P02545 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
NOTUM Q6P988 2/20 0.44
SENP2 Q9HC62 1/20 0.44
SENP1 Q9P0U3 1/20 0.44
ATM Q13315 1/20 0.44
POLB P06746 1/20 0.44
PTBP1 P26599 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL2137443 0.82 NOTUM (0.47) KMT2ATP53MAPTLMNANOTUM
SCHEMBL2143239 0.81 ALDH1A1 (0.53) RAB9AHPGDKMT2ANPC1SMN1; SMN2
SCHEMBL2137010 0.78 CACNA1I (0.63) RAB9ANPSR1HPGDTSHRKMT2A
SCHEMBL2137022 0.78 CACNA1I (0.63) RAB9ANPSR1HPGDTSHRKMT2A
SCHEMBL2133636 0.73 RAB9A (0.56) RAB9AHPGDKMT2ANPC1SMN1; SMN2
SCHEMBL21920357 0.72 NOTUM (0.48) RAB9ANPSR1HPGDKMT2ASMN1; SMN2
SCHEMBL2137785 0.71 HTT (0.47) RAB9AKMT2ANPC1SMN1; SMN2MAPT
SCHEMBL2140976 0.71 CACNA1I (0.61) RAB9AHPGDKMT2ASMN1; SMN2TP53
SCHEMBL2140970 0.71 CACNA1I (0.61) RAB9AHPGDKMT2ASMN1; SMN2TP53
SCHEMBL21921791 0.70 MEN1 (0.41) NPSR1KMT2ASMN1; SMN2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522140-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2016-12-20 US disclosed
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 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-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H RAB9A 1188/4885NPSR1 1846/4885HPGD 3096/4885

“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.