SCHEMBL3423922

SCHEMBL3423922

CC(C)C(=O)Nc1cc[nH]n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 1/20 0.42
ADORA3 P0DMS8 3/20 0.42
ADORA1 P30542 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
ADORA2A P29274 1/20 0.42
TP53 P04637 2/20 0.41
MDM4 O15151 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CETP P11597 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
GLA P06280 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL7281510 0.86 XIAP (0.51)
SCHEMBL12831208 0.82 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10KDM4EHPGD
SCHEMBL1259717 0.80 POLB (0.60) LMNAKMT2AMEN1
SCHEMBL50346 0.79
SCHEMBL3424322 0.78 KMT2A (0.48) ALDH1A1ADORA3ADORA1HPGDADORA2A
SCHEMBL30846612 0.78 TSHR (0.39) ALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL4794477 0.77 SMN1; SMN2 (0.58) ALDH1A1LMNAADORA3ADORA1KDM4E
SCHEMBL3064600 0.76
SCHEMBL26739970 0.76 LMNA (0.58) ALDH1A1LMNAADORA3ADORA1KDM4E
Acetic Acid SCHEMBL2955582 0.76 KDM4E (0.43) LMNAHSD17B10ADORA3ADORA1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4555547-B2 2010-10-06 JP claimed
JP-2004505977-A 2004-02-26 JP claimed
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP claimed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 WO claimed
WO-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-8530646-B2 Oxazolidinone derivative having 7-membered hetero ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2013-09-10 US disclosed
US-8445518-B2 Triazolyl pyridyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2013-05-21 US disclosed
US-8445518-B2 Triazolyl pyridyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2013-05-21 US disclosed
US-7902204-B2 2-(4-Benzoyl-piperazin-1-yl)-3-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3-oxo-propionitrile; HIV and AIDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-08 US disclosed
EP-2049515-B1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES AS CCR2 OR CCR9 MODULATORS FOR THE TREATMENT OF ATHEROSCLEROSIS CHEMOCENTRYX INC (US) 2011-01-26 EP disclosed
US-7683176-B2 Triazolyl pyridyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2010-03-23 US disclosed
US-7683176-B2 Triazolyl pyridyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2010-03-23 US disclosed
US-20080125439-A1 DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-05-29 US disclosed
US-20080039504-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. 2008-02-14 US disclosed
US-20080039504-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. 2008-02-14 US disclosed
WO-2008008375-A2 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES AS CCR2 OR CCR9 MODULATORS FOR THE TREATMENT OF INFLAMMATION CHEMOCENTRYX, INC. (US) 2008-01-17 WO disclosed
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP disclosed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 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 (3 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-20080125439-A1 DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, EIF2AK2 ALDH1A1 2394/4885LMNA 2812/4885HSD17B10 3903/4885
US-20080039504-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 ALDH1A1 2696/4885LMNA 4052/4885HSD17B10 3673/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 1067/4885LMNA 3512/4885HSD17B10 1546/4885

“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.