SCHEMBL13525239

SCHEMBL13525239

CNc1ccc(N=C2C=C(C)C(=O)C(C)=C2NC(C)=O)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.38
▸ CA2 P00918 3/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ HSP90AA1 P07900 3/20 0.33
▸ HSP90AB1 P08238 3/20 0.33
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ ROCK2 O75116 1/20 0.31
▸ RAB9A P51151 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL13525217 0.89 HTT (0.33) CA1CA2CA9ALDH1A1HTT
SCHEMBL13525227 0.83 HSP90AA1 (0.32) CA1CA2CA9HSP90AA1HSP90AB1
SCHEMBL11241480 0.80 CA1 (0.33) CA1CA2CA9HSP90AA1HSP90AB1
SCHEMBL13525210 0.75 PABPC1 (0.49) CA2CA9KMT2AMEN1ALDH1A1
SCHEMBL13525182 0.74 GAA (0.35) KMT2AMEN1ALDH1A1HTT
SCHEMBL1435815 0.73 KDM4E (0.33) CA1CA2CA9ALDH1A1KDM4E
SCHEMBL1435819 0.73 KDM4E (0.33) CA1CA2CA9ALDH1A1KDM4E
SCHEMBL11256805 0.71 KDM4E (0.33) CA1CA2CA9ALDH1A1KDM4E
SCHEMBL13525233 0.70 CYP1A2 (0.41) KMT2AMEN1ALDH1A1RAB9AKDM4E
SCHEMBL13525226 0.70 PGK1 (0.37) CA1CA2CA9KMT2AALDH1A1

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-7645304-B2 Dyeing of in particular human keratin materials by dry thermal transfer of a direct azomethine dye, composition comprising the said dye and its method of preparation L'OREAL S.A. (FR) 2010-01-12 — — US disclosed
US-7645304-B2 Dyeing of in particular human keratin materials by dry thermal transfer of a direct azomethine dye, composition comprising the said dye and its method of preparation L'OREAL S.A. (FR) 2010-01-12 — — US disclosed
US-20080120792-A1 Dyeing of in Particular Human Keratin Materials by Dry Thermal Transfer of a Direct Azomethine Dye, Composition Comprising the Said Dye and its Method of Preparation L'OREAL S.A. (FR) 2008-05-29 — — US disclosed
US-20080120792-A1 Dyeing of in Particular Human Keratin Materials by Dry Thermal Transfer of a Direct Azomethine Dye, Composition Comprising the Said Dye and its Method of Preparation L'OREAL S.A. (FR) 2008-05-29 — — 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-20080120792-A1 Dyeing of in Particular Human Keratin Materials by Dry Thermal Transfer of a Direct Azomethine Dye, Composition Comprising the Said Dye and its Method of Preparation KRT18, IK, KLK5 CA1 208/4885CA2 561/4885CA9 202/4885

“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.

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