SCHEMBL4964915

SCHEMBL4964915

COc1ncccc1-c1cccc(-c2nc3ccc(C(=O)NCCCN4CCCC[C@@H]4C)cc3[nH]2)c1O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
HTR3A P46098 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
CARM1 Q86X55 1/20 0.46
HDAC6 Q9UBN7 1/20 0.45
CACNA1G O43497 12/20 0.45
HSD17B10 Q99714 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
SCHEMBL1509540 0.90 RAB9A (0.47) RAB9ANPC1HTR3AKDM4EALDH1A1
SCHEMBL4963489 0.87 CARM1 (0.49) CARM1HDAC6
SCHEMBL4964920 0.84 CARM1 (0.48) CARM1HDAC6
SCHEMBL12834549 0.81 RAB9A (0.47) RAB9ANPC1HTR3AKDM4EALDH1A1
SCHEMBL4962190 0.81 HDAC6 (0.51) CARM1HDAC6
SCHEMBL4964897 0.80 CARM1 (0.51) CARM1HDAC6
SCHEMBL4963154 0.79 HDAC6 (0.60) CARM1HDAC6
SCHEMBL4964947 0.79 GSK3B (0.51) CARM1HDAC6
SCHEMBL4963532 0.78 HDAC6 (0.50) CARM1HDAC6
SCHEMBL4965539 0.78 HDAC6 (0.61) CARM1HDAC6

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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US claimed

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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 RAB9A 2622/4885NPC1 2983/4885HTR3A 3701/4885

“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.