SCHEMBL14688239

SCHEMBL14688239

CCOC(=O)n1nc(-c2ccc(Cl)cc2)cc1N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.67
▸ TSHR P16473 4/20 0.67
▸ MAPK1 P28482 2/20 0.67
▸ NPC1 O15118 3/20 0.65
▸ RAB9A P51151 3/20 0.65
▸ LMNA P02545 2/20 0.65
▸ POLB P06746 2/20 0.65
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ MAPT P10636 4/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ ALPL P05186 1/20 0.49
▸ KDM4E B2RXH2 4/20 0.48
▸ GAA P10253 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ HPGD P15428 2/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ ENPP2 Q13822 1/20 0.45

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
SCHEMBL17128907 0.85 ALDH1A1 (0.49) ALDH1A1TSHRMAPK1NPC1RAB9A
SCHEMBL1852959 0.83 TSHR (0.50) ALDH1A1TSHRMAPK1NPC1RAB9A
SCHEMBL5022767 0.76 TSHR (0.58) ALDH1A1TSHRMAPK1NPC1RAB9A
SCHEMBL2082134 0.75 TSHR (0.62) ALDH1A1TSHRMAPK1NPC1RAB9A
SCHEMBL2173892 0.75 TSHR (0.57) ALDH1A1TSHRMAPK1NPC1RAB9A
SCHEMBL17128913 0.74 F2 (0.42) ALDH1A1TSHRMAPK1NPC1RAB9A
SCHEMBL31374395 0.73 LDHA (0.57) ALDH1A1TSHRMAPK1NPC1RAB9A
Hydrochloric Acid SCHEMBL9124785 0.73 MEN1 (0.50) ALDH1A1TSHRMAPK1NPC1RAB9A
SCHEMBL15173711 0.72 SMN1; SMN2 (0.67) ALDH1A1TSHRMAPK1NPC1RAB9A
SCHEMBL8613811 0.71 TSHR (0.46) ALDH1A1TSHRMAPK1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560966-B1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INT CORPORATION (US) 2021-01-06 — — EP disclosed
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-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

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 ALDH1A1 3080/4885TSHR 702/4885MAPK1 3125/4885
US-20170326125-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 ALDH1A1 3080/4885TSHR 702/4885MAPK1 3125/4885
US-20180214418-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 ALDH1A1 3080/4885TSHR 702/4885MAPK1 3125/4885
US-20160122333-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 ALDH1A1 3080/4885TSHR 702/4885MAPK1 3125/4885
US-10653674-B2 Multisubstituted aromatic compounds as inhibitors of thrombin TFPI, PLAT, SERPINC1 ALDH1A1 3080/4885TSHR 702/4885MAPK1 3125/4885
US-20160136177-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 ALDH1A1 3080/4885TSHR 702/4885MAPK1 3125/4885
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 ALDH1A1 3080/4885TSHR 702/4885MAPK1 3125/4885

“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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