SCHEMBL22355136

SCHEMBL22355136

CC(C)C(=O)Nc1cccc(-c2ccc3scnc3c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.47
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
AURKA O14965 1/20 0.42
ADORA3 P0DMS8 2/20 0.42
ADORA1 P30542 2/20 0.42
ADORA2A P29274 1/20 0.42
TP53 P04637 3/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RIPK2 O43353 1/20 0.41
MCL1 Q07820 3/20 0.41
DYRK2 Q92630 2/20 0.40
PFKFB3 Q16875 2/20 0.40
FFAR1 O14842 1/20 0.40
EPHB4 P54760 1/20 0.39
TEK Q02763 1/20 0.39

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
SCHEMBL24093862 0.87 CNR1 (0.48) TRPV3AURKAADORA3ADORA1RIPK2
SCHEMBL20383588 0.84 TRPV3 (0.45) TRPV3NPC1RAB9AAURKAADORA3
SCHEMBL20351900 0.84 TRPV3 (0.42) TRPV3NPC1RAB9AAURKAADORA1
SCHEMBL20333942 0.78 NPC1 (0.43) NPC1RAB9AADORA3ADORA1ADORA2A
SCHEMBL27342102 0.75 ADORA1 (0.65) NPC1RAB9AADORA3ADORA1ADORA2A
SCHEMBL1852264 0.68 TGFBR1 (0.46) TRPV3RIPK2
SCHEMBL1845567 0.67 KDM4E (0.56) NPC1RAB9AAURKARIPK2MCL1
SCHEMBL29627363 0.67 KDM4E (0.56) NPC1RAB9AAURKARIPK2MCL1
SCHEMBL15627410 0.67 XIAP (0.51) RAB9AADORA3ADORA1ADORA2ATP53
SCHEMBL1849737 0.67 AURKA (0.56) NPC1RAB9AAURKAMEN1KMT2A

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-20230071620-A1 PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-03-09 US disclosed
US-20200262818-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2020-08-20 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 (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-20200262818-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH TRPV3 4255/4885NPC1 1197/4885RAB9A 2300/4885
US-20230071620-A1 PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH TRPV3 2859/4885NPC1 308/4885RAB9A 1851/4885

“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.