SCHEMBL2823658

SCHEMBL2823658

CC(C)(C)COc1c(/C=C/c2nc3sccn3c2C(=O)Nc2nc(C(C)(C)C)cs2)cccc1OC(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.37
RAB9A P51151 9/20 0.37
ALDH1A1 P00352 5/20 0.37
LMNA P02545 4/20 0.37
NPSR1 Q6W5P4 4/20 0.37
MAPK1 P28482 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
ALOX15 P16050 2/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 7/20 0.36
MEN1 O00255 6/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 2/20 0.34

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
SCHEMBL2823662 1.00 NPC1 (0.37) NPC1RAB9AALDH1A1LMNANPSR1
SCHEMBL2827672 0.95 NPC1 (0.32) NPC1RAB9AALDH1A1LMNANPSR1
SCHEMBL2827674 0.95 NPC1 (0.32) NPC1RAB9AALDH1A1LMNANPSR1
SCHEMBL2828452 0.92 CSNK2A2 (0.32)
SCHEMBL2828451 0.92 CSNK2A2 (0.32)
SCHEMBL2375628 0.91 MAPK1 (0.42) NPC1RAB9AALDH1A1LMNANPSR1
SCHEMBL2375624 0.91 MAPK1 (0.42) NPC1RAB9AALDH1A1LMNANPSR1
SCHEMBL2829873 0.91 MAPK1 (0.42) NPC1RAB9AALDH1A1LMNANPSR1
SCHEMBL2829876 0.91 MAPK1 (0.42) NPC1RAB9AALDH1A1LMNANPSR1
SCHEMBL2824650 0.89 ADORA1 (0.37) TSHRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318928-B2 Fused imidazole carboxamides as TRPV3 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2012-11-27 US claimed
US-20100152192-A1 FUSED IMIDAZOLE CARBOXAMIDES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A (CH) 2010-06-17 US claimed
US-8318928-B2 Fused imidazole carboxamides as TRPV3 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2012-11-27 US disclosed
US-20100152192-A1 FUSED IMIDAZOLE CARBOXAMIDES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A (CH) 2010-06-17 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-20100152192-A1 FUSED IMIDAZOLE CARBOXAMIDES AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV2 NPC1 744/4885RAB9A 2769/4885ALDH1A1 2705/4885

“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.