SCHEMBL3972158

SCHEMBL3972158

COC(=O)c1cc(I)c(NC(C)=O)cc1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ KMT2A Q03164 3/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ HPGD P15428 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ CFTR P13569 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL12021198 0.87 ALDH1A1 (0.43) ALDH1A1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL5413239 0.85 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL18239875 0.83 HPGD (0.49) ALDH1A1KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL4502908 0.83 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL22999843 0.81 HDAC1 (0.48) ALDH1A1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL15797599 0.81 ALDH1A1 (0.60) ALDH1A1KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL30707648 0.80 KMT2A (0.57) ALDH1A1KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL1920431 0.79 CFTR (0.46) ALDH1A1KMT2AMAPTCA1CA2
SCHEMBL30280800 0.79 CFTR (0.46) ALDH1A1KMT2AMAPTCA1CA2
SCHEMBL12021166 0.79 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 — — WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 — — WO disclosed
US-8507499-B2 Substituted indole/indazole-pyrimidinyl compounds CONFLUENCE LIFE SCIENCES, INC. (US) 2013-08-13 — — US disclosed
US-20120142696-A1 SUBSTITUTED INDOLE/INDAZOLE-PYRIMIDINYL COMPOUNDS ACLARIS THERAPEUTICS, INC. 2012-06-07 — — US disclosed
WO-2009047240-A1 INDOLE DERIVATIVES USEFUL AS PPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 — — WO disclosed
WO-2009047240-A1 INDOLE DERIVATIVES USEFUL AS PPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 — — WO disclosed
US-7488744-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2009-02-10 — — US disclosed
US-7488744-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2009-02-10 — — US disclosed
US-7488744-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2009-02-10 — — US disclosed
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS, INC. (US) 2007-10-04 — — US disclosed
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS, INC. (US) 2007-10-04 — — US disclosed
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS, INC. (US) 2007-10-04 — — US disclosed
US-7220763-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-05-22 — — US disclosed
US-7220763-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-05-22 — — US disclosed
US-7220763-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-05-22 — — US disclosed
EP-1545528-A4 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC (US) 2006-07-26 — — EP disclosed
EP-1545528-A2 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC. (US) 2005-06-29 — — EP disclosed
US-20040142940-A1 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. 2004-07-22 — — US disclosed
WO-2004022712-A2 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF p38 KINASE SCIOS INC. (US) 2004-03-18 — — 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 (3 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-20040142940-A1 Indole-type derivatives as inhibitors of p38 kinase MAPK1, MAPKAPK2, MAPK4 ALDH1A1 2371/4885KMT2A 978/4885MAPT 1076/4885
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE MAPK1, MAPKAPK2, MAPKAPK5 ALDH1A1 1773/4885KMT2A 1055/4885MAPT 936/4885
US-20120142696-A1 SUBSTITUTED INDOLE/INDAZOLE-PYRIMIDINYL COMPOUNDS MAPK1, MAP3K1, MAP3K20 ALDH1A1 2496/4885KMT2A 1797/4885MAPT 1607/4885

“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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