SCHEMBL3435349

SCHEMBL3435349

C=CCOc1cccc2c1C(=O)NC2=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ TXNRD1 Q16881 1/20 0.42
▸ TXNRD3 Q86VQ6 1/20 0.42
▸ TXNRD2 Q9NNW7 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ PTPRC P08575 1/20 0.41
▸ LIG1 P18858 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ GSK3B P49841 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38

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
SCHEMBL2701829 0.82 GSK3B (0.42) CYP3A4GAAMEN1KMT2AHPGD
SCHEMBL5919579 0.80 KCNA3 (0.50) CYP3A4CYP2A6TXNRD1TXNRD3TXNRD2
SCHEMBL7399139 0.79 DDB1 (0.46) CYP2A6PTPRCGAAMEN1KMT2A
Water SCHEMBL8678456 0.78 DDB1 (0.45) CYP2A6PTPRCGAAMEN1KMT2A
SCHEMBL11064554 0.76 KCNA3 (0.40) CA1CA9GAAHPGDHSD17B10
SCHEMBL7648225 0.76 CYP2A6 (0.43) CYP2A6GAAMEN1KMT2AHPGD
SCHEMBL10776993 0.76 CDK2 (0.43) GAAMEN1KMT2AHPGDHSD17B10
SCHEMBL17594770 0.76 TOP1 (0.56) CYP3A4CYP2A6TXNRD1TXNRD3TXNRD2
SCHEMBL10663882 0.76 KCNA3 (0.57) CYP3A4CYP2A6TXNRD1TXNRD3TXNRD2
SCHEMBL3434411 0.76 CYP3A4 (0.49) CYP3A4CYP2A6TXNRD1TXNRD3TXNRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3323813-B1 HISTONE ACETYLTRANSFERASE MODULATORS AND USES THEREOF UNIV COLUMBIA (US) 2020-08-26 — — EP disclosed
US-20180244603-A1 HISTONE ACETYLTRANSFERASE MODULATORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2018-08-30 — — US disclosed
EP-3323813-A1 HISTONE ACETYLTRANSFERASE MODULATORS AND USES THEREOF The Trustees of Columbia University in the City of New York (US) 2018-05-23 — — EP disclosed
US-9969677-B2 Histone acetyltransferase modulators and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-05-15 — — US disclosed
EP-2654428-B1 HISTONE ACETYLTRANSFERASE MODULATORS AND USESE THEREOF UNIV COLUMBIA (US) 2018-02-14 — — EP disclosed
US-20170121276-A1 HISTONE ACETYLTRANSFERASE MODULATORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-05-04 — — US disclosed
EP-2654428-A1 HISTONE ACETYLTRANSFERASE MODULATORS AND USESE THEREOF The Trustees of Columbia University in the City of New York (US) 2013-10-30 — — EP disclosed
US-8361218-B2 Coloring composition, method for production thereof, and coloring method Dainischiseika Color & Chemicals Mfg. Co., Ltd. (JP) 2013-01-29 — — US disclosed
WO-2012088420-A1 HISTONE ACETYLTRANSFERASE MODULATORS AND USESE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-06-28 — — WO disclosed
US-20100291359-A1 Coloring composition, method for production thereof, and coloring method DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2010-11-18 — — US disclosed
EP-2206751-A1 COLORING COMPOSITION, METHOD FOR PRODUCTION THEREOF, AND COLORING METHOD Dainichiseika Color & Chemicals Mfg. Co., Ltd. (JP) 2010-07-14 — — 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-20180244603-A1 HISTONE ACETYLTRANSFERASE MODULATORS AND USES THEREOF EP300, HTT, KAT2A CYP3A4 4801/4885CYP2A6 4806/4885TXNRD1 1020/4885
US-20170121276-A1 HISTONE ACETYLTRANSFERASE MODULATORS AND USES THEREOF EP300, KAT2A, HTT CYP3A4 4782/4885CYP2A6 4789/4885TXNRD1 1022/4885

“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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