SCHEMBL2829776

SCHEMBL2829776

COc1cccc(C=Cc2nc3ccncn3c2C(=O)O)c1OCC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.38
KDM4E B2RXH2 7/20 0.38
MAPT P10636 2/20 0.38
HSD17B10 Q99714 2/20 0.38
NFE2L2 Q16236 3/20 0.36
ALDH1A1 P00352 5/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
AGTR1 P30556 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL2828198 0.87 PIM1 (0.40) ACMSDKDM4EMAPTNFE2L2ALDH1A1
SCHEMBL2828199 0.87 PIM1 (0.40) ACMSDKDM4EMAPTNFE2L2ALDH1A1
SCHEMBL2824658 0.82 MPL (0.35) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL2824763 0.81 ACMSD (0.38) ACMSDKDM4EMAPTNFE2L2ALDH1A1
SCHEMBL2824759 0.81 ACMSD (0.38) ACMSDKDM4EMAPTNFE2L2ALDH1A1
SCHEMBL2827667 0.77 MAPK1 (0.48) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL2823729 0.77 PIM1 (0.40) KDM4EHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL2823725 0.77 PIM1 (0.40) KDM4EHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL2827670 0.77 MAPK1 (0.48) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL2827321 0.74 MPL (0.33) KDM4EALDH1A1NPC1RAB9AKMT2A

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-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 ACMSD 1516/4885KDM4E 3190/4885MAPT 2072/4885

“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.