SCHEMBL3179934

SCHEMBL3179934

COC(=O)/C=C/c1ccc(Cl)cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.51
MAPT P10636 7/20 0.49
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TTR P02766 1/20 0.43
APP P05067 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL3179944 1.00 ABL1 (0.51) ABL1MAPTALDH1A1MEN1KMT2A
SCHEMBL3167942 0.88 MAPT (0.49) ABL1MAPTALDH1A1MEN1KMT2A
SCHEMBL3167924 0.88 MAPT (0.49) ABL1MAPTALDH1A1MEN1KMT2A
Methyl 3-(2,4-Dichlorophenyl)Acrylate SCHEMBL7434845 0.84 MAPT (0.62) MAPTALDH1A1MEN1KMT2AKDM4E
Methyl 3-(2,4-Dichlorophenyl)Acrylate SCHEMBL6315070 0.84 MAPT (0.62) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL6171573 0.84 MAPT (0.48) ABL1MAPTALDH1A1MEN1KMT2A
SCHEMBL6171567 0.84 MAPT (0.48) ABL1MAPTALDH1A1MEN1KMT2A
SCHEMBL6171196 0.83 ALDH1A1 (0.50) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL6171189 0.83 ALDH1A1 (0.50) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL31155851 0.83 MAPT (0.58) MAPTALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645760-B2 1-(4-Benzyl-piperazin-1-yl)-3-phenyl-propenone derivatives NOVARTIS AG. (CH) 2010-01-12 US disclosed
US-7645760-B2 1-(4-Benzyl-piperazin-1-yl)-3-phenyl-propenone derivatives NOVARTIS AG. (CH) 2010-01-12 US disclosed
US-7645760-B2 1-(4-Benzyl-piperazin-1-yl)-3-phenyl-propenone derivatives NOVARTIS AG. (CH) 2010-01-12 US disclosed
US-20070196270-A1 Compounds As Ccri Antagonists HENG RICHARD 2007-08-23 US disclosed
US-20070196270-A1 Compounds As Ccri Antagonists HENG RICHARD 2007-08-23 US disclosed
US-20070196270-A1 Compounds As Ccri Antagonists HENG RICHARD 2007-08-23 US disclosed
EP-1794164-A2 BRIDGED PIPERAZINE AND PIPERIDINE DERIVATIVES AS CCR1 ANTAGONISTS Novartis AG (CH) 2007-06-13 EP disclosed
US-20060173004-A1 1-(4-Benzyl-piperazin-1-yl)-3-phenyl-propenone derivatives NOVARTIS AG (CH) 2006-08-03 US disclosed
WO-2005103054-A2 BRIDGED PIPERAZINE AND PIPERIDINE DERIVATIVES AS CCRI ANTAGONISTS NOVARTIS AG (CH) 2005-11-03 WO disclosed
EP-1045833-B1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2005-11-02 EP disclosed
US-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US disclosed
EP-1065206-B1 Tetrazolylalkyl indole compounds as anti-inflammatory and analgesic agents PFIZER (US) 2002-10-09 EP disclosed
EP-1065204-B1 Bicycliccarbonyl indole compounds as anti-inflammatory/analgesic agents and as COX-2 inhibitors PFIZER (US) 2002-04-10 EP disclosed
US-6303628-B1 FOR THE TREATMENT OF A MEDICAL CONDITION IN WHICH PROSTAGLANDINS ARE IMPLICATED AS PATHOGENS IN MAMMALS PFIZER INC 2001-10-16 US disclosed
CN-1284064-A 2,3-substituted indole compounds as cox-2 inhibitors PFIZER PHARMA (US) 2001-02-14 CN disclosed
EP-1065204-A1 Bicycliccarbonyl indole compounds as anti-inflammatory/analgesic agents and as COX-2 inhibitors PFIZER INC. (US) 2001-01-03 EP disclosed
EP-1065206-A1 Tetrazolylalkyl indole compounds as anti-inflammatory and analgesic agents PFIZER INC. (US) 2001-01-03 EP disclosed
US-5376748-A Antiepileptic agents, anticonvulsants MERCK SHARP & DOHME LIMITED (GB) 1994-12-27 US disclosed
EP-0623111-A1 NITROQUINOLONE DERIVATIVES AS NMDA ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 1994-11-09 EP disclosed
WO-1993014067-A1 NITROQUINOLONE DERIVATIVES AS NMDA ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1993-07-22 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-20060173004-A1 1-(4-Benzyl-piperazin-1-yl)-3-phenyl-propenone derivatives CCR1, CCR3, CCR4 ABL1 2775/4885MAPT 2279/4885ALDH1A1 290/4885
US-20070196270-A1 Compounds As Ccri Antagonists CCR1, CCR10, CCR4 ABL1 2299/4885MAPT 2220/4885ALDH1A1 743/4885

“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.