SCHEMBL4502908

SCHEMBL4502908

COC(=O)c1cc(I)c(NC(C)=O)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 2/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
NQO2 P16083 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 1/20 0.40
CFTR P13569 1/20 0.39
CDK1 P06493 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL7761264 0.88 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MEN1LMNAKMT2A
SCHEMBL14144246 0.85 CA1 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL14144571 0.84 KDM4E (0.53) ALDH1A1SMN1; SMN2LMNAKMT2AHTT
SCHEMBL15797652 0.83 GAA (0.46) ALDH1A1SMN1; SMN2MEN1LMNAKMT2A
SCHEMBL3972158 0.83 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL31464258 0.82 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MEN1LMNAKMT2A
SCHEMBL18239875 0.81 HPGD (0.49) ALDH1A1SMN1; SMN2MEN1LMNAKMT2A
SCHEMBL14565684 0.80 CA1 (0.39) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL2849661 0.80 CFTR (0.45) ALDH1A1SMN1; SMN2MEN1LMNAKMT2A
SCHEMBL25294913 0.78 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507499-B2 Substituted indole/indazole-pyrimidinyl compounds CONFLUENCE LIFE SCIENCES, INC. (US) 2013-08-13 US disclosed
WO-2012078674-A1 SUBSTITUTED INDOLE/INDAZOLE-PYRIMIDINYL COMPOUNDS CONFLUENCE LIFE SCIENCES, INC. (US) 2012-06-14 WO disclosed
US-20120142696-A1 SUBSTITUTED INDOLE/INDAZOLE-PYRIMIDINYL COMPOUNDS ACLARIS THERAPEUTICS, INC. 2012-06-07 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-7488744-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2009-02-10 US disclosed
WO-2008079105-A1 METHODS TO SYNTHESIZE INDOLES AS PRECURSORS FOR PHARMACEUTICALS SCIOS INC. (US) 2008-07-03 WO 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
US-20070066833-A1 Methods to synthesize indoles as precursors for pharmaceuticals SCIOS, INC. (US) 2007-03-22 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 (4 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-20070066833-A1 Methods to synthesize indoles as precursors for pharmaceuticals IDO1, IDO2, INMT ALDH1A1 1231/4885SMN1; SMN2 4652/4885MEN1 1127/4885
US-20040142940-A1 Indole-type derivatives as inhibitors of p38 kinase MAPK1, MAPKAPK2, MAPK4 ALDH1A1 2371/4885SMN1; SMN2 3757/4885MEN1 3280/4885
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE MAPK1, MAPKAPK2, MAPKAPK5 ALDH1A1 1773/4885SMN1; SMN2 3749/4885MEN1 3245/4885
US-20120142696-A1 SUBSTITUTED INDOLE/INDAZOLE-PYRIMIDINYL COMPOUNDS MAPK1, MAP3K1, MAP3K20 ALDH1A1 2496/4885SMN1; SMN2 3611/4885MEN1 3345/4885

“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.