SCHEMBL2553849

SCHEMBL2553849

[CH2]C(=O)c1ccc(Cl)c(NCc2ccccc2)c1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.72
HDAC1 Q13547 5/20 0.72
HDAC6 Q9UBN7 5/20 0.72
L3MBTL1 Q9Y468 2/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
POLB P06746 2/20 0.51
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CISD1 Q9NZ45 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
SSTR3 P32745 1/20 0.44
PPARG P37231 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
SCHEMBL9402456 0.83 HDAC8 (0.69) HDAC8HDAC1HDAC6L3MBTL1MEN1
SCHEMBL11026552 0.76 HDAC1 (0.60) HDAC8HDAC1HDAC6L3MBTL1MEN1
SCHEMBL11510637 0.76 HDAC1 (0.59) HDAC8HDAC1HDAC6L3MBTL1MEN1
SCHEMBL11122134 0.74 KMT2A (0.58) HDAC8HDAC1HDAC6L3MBTL1MEN1
SCHEMBL15958961 0.72 HDAC8 (0.56) HDAC8HDAC1HDAC6L3MBTL1MEN1
SCHEMBL1932560 0.72 HDAC8 (0.55) HDAC8HDAC1HDAC6L3MBTL1MEN1
SCHEMBL2316630 0.71 HSD17B10 (0.59) HDAC8HDAC1HDAC6L3MBTL1MEN1
SCHEMBL10006630 0.71 HDAC1 (0.54) HDAC8HDAC1HDAC6L3MBTL1MEN1
SCHEMBL4497861 0.71 MRGPRX4 (0.75) HDAC8HDAC1HDAC6L3MBTL1MEN1
SCHEMBL23501671 0.70 MEN1 (0.67) HDAC8HDAC1HDAC6L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10653674-B2 Multisubstituted aromatic compounds as inhibitors of thrombin VERSEON CORPORATION (US) 2020-05-19 US disclosed
US-20180214418-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2018-08-02 US disclosed
US-9963440-B2 Multisubstituted aromatic compounds as inhibitors of thrombin VERSEON CORPORATION (US) 2018-05-08 US disclosed
US-20170326125-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2017-11-16 US disclosed
US-9533967-B2 Multisubstituted aromatic compounds as inhibitors of thrombin VERSEON CORPORATION (US) 2017-01-03 US disclosed
US-20160256440-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2016-09-08 US disclosed
US-20160136177-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2016-05-19 US disclosed
US-20160122333-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2016-05-05 US disclosed
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON CORPORATION (US) 2013-02-14 US disclosed
WO-2011126903-A2 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON, INC. (US) 2011-10-13 WO 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 (7 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-20160256440-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 HDAC8 736/4885HDAC1 720/4885HDAC6 1671/4885
US-20170326125-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 HDAC8 736/4885HDAC1 720/4885HDAC6 1671/4885
US-20180214418-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 HDAC8 736/4885HDAC1 720/4885HDAC6 1671/4885
US-20160122333-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 HDAC8 736/4885HDAC1 720/4885HDAC6 1671/4885
US-10653674-B2 Multisubstituted aromatic compounds as inhibitors of thrombin TFPI, PLAT, SERPINC1 HDAC8 736/4885HDAC1 720/4885HDAC6 1671/4885
US-20160136177-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 HDAC8 736/4885HDAC1 720/4885HDAC6 1671/4885
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 HDAC8 736/4885HDAC1 720/4885HDAC6 1671/4885

“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.