SCHEMBL3401623

SCHEMBL3401623

O=C(CCl)N[C@H](CO)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
HTT P42858 2/20 0.71
NCOA1 Q15788 1/20 0.71
NCOA3 Q9Y6Q9 1/20 0.71
LMNA P02545 2/20 0.69
RIPK1 Q13546 1/20 0.54
EPHX2 P34913 2/20 0.54
ROCK2 O75116 3/20 0.49
ROCK1 Q13464 3/20 0.49
MAPK13 O15264 1/20 0.49
RPS6KA5 O75582 1/20 0.49
MAP4K4 O95819 1/20 0.49
PAK4 O96013 1/20 0.49
PRKCG P05129 1/20 0.49
CDK1 P06493 1/20 0.49
PRKACA P17612 1/20 0.49
RPS6KB1 P23443 1/20 0.49
CDK2 P24941 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL4564471 1.00 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2HTTNCOA1NCOA3
SCHEMBL1273257 1.00 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2HTTNCOA1NCOA3
SCHEMBL4337456 0.87 RIPK1 (0.58) ALDH1A1SMN1; SMN2HTTNCOA1NCOA3
SCHEMBL6355786 0.84 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2HTTNCOA1NCOA3
SCHEMBL25196651 0.84 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HTTNCOA1NCOA3
SCHEMBL18832653 0.84 RIPK1 (0.55) ALDH1A1SMN1; SMN2HTTNCOA1NCOA3
SCHEMBL18162818 0.83 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HTTNCOA1NCOA3
SCHEMBL15671577 0.83 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2HTTNCOA1NCOA3
SCHEMBL25355850 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HTTNCOA1NCOA3
SCHEMBL25159633 0.82 RIPK1 (0.54) ALDH1A1SMN1; SMN2HTTNCOA1NCOA3

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10660888-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2020-05-26 US disclosed
US-10660888-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2020-05-26 US disclosed
US-20190247392-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2019-08-15 US disclosed
US-20190247392-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2019-08-15 US disclosed
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US disclosed
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US disclosed
US-10188649-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2019-01-29 US disclosed
CN-105658646-B Aminoheteroaryl benzamide as kinase inhibitor 诺华股份有限公司 2018-11-27 CN disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US disclosed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 WO disclosed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 WO disclosed
US-7407960-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-08-05 US disclosed
EP-1806346-A1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. (US) 2007-07-11 EP disclosed
US-20070004751-A1 Substituted heterocyclic compounds ELZEIN ELFATIH 2007-01-04 US disclosed
US-7125876-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-10-24 US disclosed
US-20040152890-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-08-05 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 (8 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-20190247392-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 ALDH1A1 2959/4885SMN1; SMN2 4410/4885HTT 4048/4885
US-10188649-B2 Aminoheteroaryl benzamides as kinase inhibitors ABL1, MAP3K12, MAP3K2 ALDH1A1 2959/4885SMN1; SMN2 4410/4885HTT 4048/4885
US-10660888-B2 Aminoheteroaryl benzamides as kinase inhibitors ABL1, MAP3K12, MAP3K2 ALDH1A1 2959/4885SMN1; SMN2 4410/4885HTT 4048/4885
US-20040152890-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A ALDH1A1 245/4885SMN1; SMN2 2385/4885HTT 2557/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 ALDH1A1 1896/4885SMN1; SMN2 4370/4885HTT 2609/4885
US-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 ALDH1A1 1389/4885SMN1; SMN2 2398/4885HTT 616/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A ALDH1A1 281/4885SMN1; SMN2 2336/4885HTT 2259/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 ALDH1A1 1896/4885SMN1; SMN2 4370/4885HTT 2609/4885

“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.