SCHEMBL3086937

SCHEMBL3086937

NC(=O)c1cc(N)c(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.48
ROCK2 O75116 1/20 0.41
IKBKB O14920 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
GRK6 P43250 1/20 0.37
KEAP1 Q14145 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
BRD4 O60885 1/20 0.35
PARP10 Q53GL7 2/20 0.35
PARP15 Q460N3 1/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
PARP1 P09874 2/20 0.34

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
SCHEMBL13575479 0.91 DGAT1 (0.48) DGAT1ROCK2IKBKBHDAC1HDAC6
SCHEMBL17774979 0.86 DGAT1 (0.44) DGAT1ROCK2IKBKBHDAC1HDAC6
SCHEMBL2323641 0.83 DGAT1 (0.54) DGAT1ROCK2CES2CES1PARP10
SCHEMBL811340 0.83 DGAT1 (0.58) DGAT1ROCK2KEAP1CES2CES1
SCHEMBL30222084 0.82 KEAP1 (0.50) HDAC1HDAC6KEAP1ALDH1A1MEN1
SCHEMBL604580 0.82 KEAP1 (0.50) HDAC1HDAC6KEAP1ALDH1A1MEN1
Hydrochloric Acid SCHEMBL29810612 0.81 DGAT1 (0.52) DGAT1ROCK2KEAP1CES2CES1
SCHEMBL2858381 0.81 DGAT1 (0.40) DGAT1IKBKBHDAC1HDAC6GRK6
SCHEMBL20644035 0.81 DGAT1 (0.44) DGAT1ROCK2IKBKBHDAC1HDAC6
SCHEMBL9878198 0.81 CA12 (0.46) DGAT1KEAP1ALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170348258-A1 3-Amino Benzamide Derivative Serving As B-Lactam Auxiliary Antibiotic, Preparation Method and Use Thereof THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2017-12-07 US claimed
CN-114585616-B Amide derivatives and their use in medicine 广东东阳光药业股份有限公司 2024-01-16 CN disclosed
CN-114585616-A Amide derivatives and their use in medicine 广东东阳光药业有限公司 2022-06-03 CN disclosed
WO-2021031071-A1 AMIDE DERIVATIVE AND USE THEREOF IN MEDICINE 广东东阳光药业有限公司 2021-02-25 WO disclosed
US-20170348258-A1 3-Amino Benzamide Derivative Serving As B-Lactam Auxiliary Antibiotic, Preparation Method and Use Thereof THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2017-12-07 US disclosed
US-20170348258-A1 3-Amino Benzamide Derivative Serving As B-Lactam Auxiliary Antibiotic, Preparation Method and Use Thereof THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2017-12-07 US disclosed
CN-105461585-A 3-aminobenzamide derivative as beta-lactam auxiliary antibiotic, preparation method and application UNIV HONG KONG POLYTECHNIC 2016-04-06 CN disclosed
EP-2061756-B1 2-AMINOCARBONYLPHENYLAMINO-2-PHENILACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2013-09-25 EP disclosed
US-8222453-B2 Benzamide factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 US disclosed
US-20100227894-A1 BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-09-09 US disclosed
WO-2009075960-A1 CCR5 ANTAGONISTS AS THERAPEUTIC AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-18 WO disclosed
WO-2009058923-A1 CCR5 ANTAGONISTS AS THERAPEUTIC AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-07 WO disclosed
WO-2009058919-A1 CCR5 ANTAGONISTS AS THERAPEUTIC AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-07 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 (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-20170348258-A1 3-Amino Benzamide Derivative Serving As B-Lactam Auxiliary Antibiotic, Preparation Method and Use Thereof BCAT2, SBDS, BCAT1 DGAT1 3946/4885ROCK2 4845/4885IKBKB 265/4885
US-20100227894-A1 BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F9, F8 DGAT1 3618/4885ROCK2 1983/4885IKBKB 218/4885

“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.