Sugi Predict

Sugi Predict / Compounds / SCHEMBL4564471

SCHEMBL4564471

SCHEMBL4564471

O=C(CCl)NC(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
SCHEMBL3401623 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 31 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-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
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-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 — — US disclosed
EP-3063143-B1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2018-05-16 — — EP disclosed
EP-2951180-B1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS MERCK SHARP & DOHME (US) 2018-05-02 — — EP disclosed
WO-2016168641-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 — — WO disclosed
EP-3063143-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS Novartis AG (CH) 2016-09-07 — — EP disclosed
US-9242996-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2016-01-26 — — US disclosed
US-20150353553-A1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-10 — — US disclosed
EP-2951180-A1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-12-09 — — EP disclosed
US-20150126490-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2015-05-07 — — US disclosed
WO-2015066188-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2015-05-07 — — WO disclosed
WO-2014120748-A1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 — — WO disclosed
EP-2029575-A1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2009-03-04 — — EP disclosed
WO-2008020902-A1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-02-21 — — 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-20190247392-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 ALDH1A1 2959/4885SMN1; SMN2 4410/4885HTT 4048/4885
US-20150126490-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-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 ALDH1A1 1896/4885SMN1; SMN2 4370/4885HTT 2609/4885
US-20150353553-A1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS DDX21, DPYD, NSUN2 ALDH1A1 1783/4885SMN1; SMN2 2062/4885HTT 1233/4885
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.