SCHEMBL3345536

SCHEMBL3345536

NC(=O)NC(=O)[CH]Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
MAOB P27338 1/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP2C19 P33261 2/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
KEAP1 Q14145 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PLA2G10 O15496 1/20 0.39
PLA2G2A P14555 1/20 0.39
NOS1 P29475 1/20 0.39
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TOP1 P11387 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL4831945 0.90 FFAR1 (0.46) HTTALDH1A1LMNAHDAC2HPGD
SCHEMBL7358482 0.84 CA2 (0.46) ALDH1A1CYP2C19LMNACYP2D6HDAC2
SCHEMBL7070183 0.82 HTT (0.42) HTTMAOBALDH1A1LMNAPLA2G10
SCHEMBL5966615 0.80 PDPK1 (0.43) HDAC8NPC1RAB9A
SCHEMBL7352404 0.80 RECQL (0.56) CYP2C19LMNACYP2D6HDAC2HDAC6
SCHEMBL6162053 0.80 LMNA (0.42) HTTMAOBALDH1A1CYP2C19LMNA
SCHEMBL295277 0.78 MAOB (0.48) MAOBCYP2C19LMNAKEAP1PLA2G10
SCHEMBL6798017 0.77 IDO1 (0.49) ALDH1A1CYP2C19LMNA
SCHEMBL4286019 0.77 KDM4E (0.50) HTTMAOBALDH1A1LMNATAAR1
SCHEMBL6582849 0.77 MAOB (0.43) MAOBALDH1A1CYP2C19LMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010049405-A1 METHOD FOR IMPROVING PLANT HEALTH BASF SE (DE) 2010-05-06 WO claimed
US-6486193-B2 ANTIARTHRITIC AGENTS; ANTIINFLAMMATORY AGENTS AVENTIS PHARMACEUTICALS INC. 2002-11-26 US claimed
US-20020037859-A1 3-substituted pyrrolidines useful as inhibitors of matrix metalloproteinases AVENTISUB INC. 2002-03-28 US claimed
EP-2346831-B1 HETEROARYL DIAMIDE COMPOUNDS USEFUL AS MMP-13 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-01-07 EP disclosed
US-8637550-B2 Heteroaryl diamide compounds useful as MMP-13 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-28 US disclosed
WO-2010049405-A1 METHOD FOR IMPROVING PLANT HEALTH BASF SE (DE) 2010-05-06 WO disclosed
EP-1134213-B1 Process for the preparation of substituted N-(indole-2-carbonyl)- glycinamides PFIZER (US) 2005-11-02 EP disclosed
US-6486193-B2 ANTIARTHRITIC AGENTS; ANTIINFLAMMATORY AGENTS AVENTIS PHARMACEUTICALS INC. 2002-11-26 US disclosed
US-20020037859-A1 3-substituted pyrrolidines useful as inhibitors of matrix metalloproteinases AVENTISUB INC. 2002-03-28 US disclosed
EP-0832065-B1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER (US) 2001-10-10 EP disclosed
EP-1134213-A2 Process for the preparation of substituted N-(indole-2-carbonyl)- glycinamides PFIZER INC. (US) 2001-09-19 EP disclosed
US-6277877-B1 GLYCOGEN PHOSPHORYLASE INHIBITOR; ANTIDIABETIC AGENTS PFIZER, INC. 2001-08-21 US disclosed
US-6107329-A HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS PFIZER, INC. (US) 2000-08-22 US disclosed
WO-1996039384-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER, INC. (US) 1996-12-12 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 (1 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-20020037859-A1 3-substituted pyrrolidines useful as inhibitors of matrix metalloproteinases MMP3, MMP1, MMP9 HTT 3494/4885MAOB 198/4885ALDH1A1 281/4885

“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.