SCHEMBL1450792

SCHEMBL1450792

C=CCCCOc1nc(C(F)(F)F)ccc1I

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.35
CDK2 P24941 2/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35
CCNA1 P78396 1/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDR P35968 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
ESR1 P03372 1/20 0.30

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
SCHEMBL1451448 0.93 KDM4E (0.33) CDK1CDK2CCNB1CCNA2CCNA1
SCHEMBL12630174 0.79 HDAC1 (0.36) TRPV1
SCHEMBL1451904 0.77 HDAC1 (0.33) ALDH1A1TRPV1
SCHEMBL14794847 0.74 MBOAT4 (0.34) TRPV1
SCHEMBL12630167 0.72 TRPV1 (0.32) TRPV1
SCHEMBL1450563 0.72 TRPV1 (0.32) TRPV1
SCHEMBL31304967 0.72 TRPV1 (0.43) CDK1CDK2CCNB1CCNA2CCNA1
SCHEMBL30358873 0.71 MBOAT4 (0.37) ALDH1A1L3MBTL1TRPV1
SCHEMBL29192570 0.71 MBOAT4 (0.37) ALDH1A1L3MBTL1TRPV1
SCHEMBL1452903 0.71 L3MBTL1 (0.36) ALDH1A1L3MBTL1

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-8383839-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-02-26 US disclosed
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-05-12 US disclosed
US-20080287428-A1 Novel Heterocyclidene Acetamide Derivative MOCHIDA PHARMACEUTICAL CO.,LTD (JP) 2008-11-20 US 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 CDK1 500/4885CDK2 382/4885CCNB1 514/4885
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE TRPV1, TRPV3, TRPA1 CDK1 500/4885CDK2 382/4885CCNB1 514/4885

“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.