SCHEMBL436619

SCHEMBL436619

CC(C)(Br)C(=O)Nc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.61
PDK2 Q15119 2/20 0.61
PDK3 Q15120 2/20 0.61
PDK4 Q16654 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.56
NAPRT Q6XQN6 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TP53 P04637 1/20 0.54
EPHX1 P07099 1/20 0.54
TSHR P16473 1/20 0.54
EPHX2 P34913 1/20 0.54
CDK9 P50750 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
MAPT P10636 4/20 0.53
HPGD P15428 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL14086882 0.85 PDK1 (0.65) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL14849461 0.84 PDK1 (0.63) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL83110 0.84 L3MBTL1 (0.78) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL11172475 0.83 MAPT (0.59) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL3129785 0.83 PDK1 (0.67) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL10974469 0.82 TP53 (0.58) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL10989896 0.81 MAPT (0.61) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL16212234 0.81 PDK1 (0.70) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL3654999 0.81 PDK1 (0.59) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL2745516 0.81 PDK1 (0.59) PDK1PDK2PDK3PDK4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4473694-A Process for the preparation of polysubstituted α-aminoacetamides THE B. F. GOODRICH COMPANY (US) 1984-09-25 US claimed
EP-0062322-A1 Improved process for synthesis of hindered amine stabilizers for polymeric materials The B.F. GOODRICH Company (US) 1982-10-13 EP claimed
US-10428051-B2 Substituted amide derivatives having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-10-01 US disclosed
US-10428051-B2 Substituted amide derivatives having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-10-01 US disclosed
EP-2596062-B1 SET-LRP POLYMERIZATION OF ACRYLATES IN THE PRESENCE OF ACIDS ROHM & HAAS (US) 2019-09-18 EP disclosed
EP-3328853-B1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2019-09-11 EP disclosed
EP-3328853-B1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2019-09-11 EP disclosed
US-10273314-B2 Set-LRP polymerization of acrylates in the presence of acids ROHM AND HAAS COMPANY (US) 2019-04-30 US disclosed
US-20190002443-A1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-01-03 US disclosed
US-20190002443-A1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-01-03 US disclosed
EP-2968995-B1 INHIBITORS OF LRRK2 KINASE ACTIVITY ELAN PHARMACEUTICALS LLC (US) 2018-05-09 EP disclosed
CN-1382124-A Bicyclic androgen and progesterone receptor modulating compounds and methods LIGAND PHARM INC (US) 2002-11-27 CN disclosed
US-4818755-A Bicyclic heteroaryl thiazole compounds, cardiotonic compositions including the same, and their uses RORER PHARMACEUTICAL CORPORATON (US) 1989-04-04 US disclosed
EP-0207140-A4 BICYCLIC HETEROARYL THIAZOLE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES. RORER INTERNAT OVERSEAS INC (US) 1987-06-15 EP disclosed
EP-0207140-A1 BICYCLIC HETEROARYL THIAZOLE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES RORER INTERNATIONAL (OVERSEAS) INC. (a Delaware corporation) (US) 1987-01-07 EP disclosed
WO-1986003749-A1 BICYCLIC HETEROARYL THIAZOLE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES RORER INTERNATIONAL (OVERSEAS) INC. (US) 1986-07-03 WO disclosed
US-4500662-A STABILIZERS OF POLYMERIC MATERIALS AGAINST ULTRAVIOLET DEGRADATION THE B. F. GOODRICH COMPANY (US) 1985-02-19 US disclosed
US-4473694-A Process for the preparation of polysubstituted α-aminoacetamides THE B. F. GOODRICH COMPANY (US) 1984-09-25 US disclosed
EP-0062322-A1 Improved process for synthesis of hindered amine stabilizers for polymeric materials The B.F. GOODRICH Company (US) 1982-10-13 EP disclosed
US-4258196-A REACTING THE ANION OF A PRIMARY OR SECONDARY 2-HALOACETAMIDE WITH AN ALKYLATING AGENT MONSANTO COMPANY (US) 1981-03-24 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 (2 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-10428051-B2 Substituted amide derivatives having multimodal activity against pain OPRM1, OPRD1, OPRK1 PDK1 3528/4885PDK2 3774/4885PDK3 3232/4885
US-20190002443-A1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRM1, OPRD1, OPRK1 PDK1 3528/4885PDK2 3774/4885PDK3 3232/4885

“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.