SCHEMBL1450538

SCHEMBL1450538

Cn1c(=O)ccc2cc[c]cc21

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 17/20 0.55
BRD9 Q9H8M2 5/20 0.55
BRD4 O60885 4/20 0.55
CA12 O43570 1/20 0.55
CA9 Q16790 1/20 0.55
KAT2B Q92831 1/20 0.55
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
BRD1 O95696 10/20 0.34
BRPF3 Q9ULD4 5/20 0.34
BCL6 P41182 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NQO2 P16083 1/20 0.31

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
SCHEMBL4198329 0.85 BRPF1 (0.55) BRPF1BRD9BRD4CA12CA9
Hydrochloric Acid SCHEMBL7218030 0.72 BRPF1 (0.92) BRPF1BRD9BRD4CA12CA9
SCHEMBL248619 0.71 BRPF1 (1.00) BRPF1BRD9BRD4CA12CA9
SCHEMBL29967380 0.71 BRPF1 (1.00) BRPF1BRD9BRD4CA12CA9
SCHEMBL552070 0.71 PIK3CD (0.43) BRPF1BRD4PIK3CDPIK3CAPIK3CB
SCHEMBL17673679 0.71 MEN1 (0.34) KDM4E
Hydrochloric Acid SCHEMBL1236989 0.69 BRPF1 (0.96) BRPF1BRD9BRD4CA12CA9
Hydrochloric Acid SCHEMBL30419636 0.69 BRPF1 (0.96) BRPF1BRD9BRD4CA12CA9
SCHEMBL686703 0.69 CYP2A6 (0.40) PIK3CBKDM4ENQO2
SCHEMBL18230486 0.69 HTR2A (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383839-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-02-26 US disclosed
CN-101228131-B Novel heterocyclylideneacetamide derivatives MOCHIDA PHARM CO LTD 2013-01-09 CN disclosed
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-05-12 US disclosed
US-7910751-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-22 US disclosed
US-20080287428-A1 Novel Heterocyclidene Acetamide Derivative MOCHIDA PHARMACEUTICAL CO.,LTD (JP) 2008-11-20 US disclosed
CN-101228131-A Novel heterocyclylideneacetamide derivatives MOCHIDA PHARM CO LTD (JP) 2008-07-23 CN disclosed
EP-1908753-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2008-04-09 EP 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-20080287428-A1 Novel Heterocyclidene Acetamide Derivative TRPV1, TRPV3, TRPA1 BRPF1 2857/4885BRD9 893/4885BRD4 1103/4885
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE TRPV1, TRPV3, TRPA1 BRPF1 2857/4885BRD9 893/4885BRD4 1103/4885

“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.