SCHEMBL12705657

SCHEMBL12705657

CNN1C(=O)c2ccccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CASP3 P42574 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
CYP2C19 P33261 1/20 0.42
RPS6KA2 Q15349 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL29616462 0.81 ALDH1A1 (0.61) CYP1A2ALDH1A1KDM4EMAPTNPSR1
SCHEMBL22926629 0.81 ALDH1A1 (0.61) CYP1A2ALDH1A1KDM4EMAPTNPSR1
SCHEMBL9184880 0.79 CYP1A2 (0.60) CYP1A2CASP3ALDH1A1KDM4EMAPT
SCHEMBL28777566 0.76 GRM1 (0.38) CYP1A2ALDH1A1KDM4EMAPTMEN1
SCHEMBL28158463 0.75 CYP1A2 (0.56) CYP1A2CASP3ALDH1A1KDM4EMAPT
SCHEMBL398765 0.75 CYP1A2 (0.56) CYP1A2CASP3ALDH1A1KDM4EMAPT
SCHEMBL12834808 0.75 CYP1A2 (0.50) CYP1A2CASP3ALDH1A1KDM4EMAPT
SCHEMBL14256476 0.75 CYP1A2 (0.50) CYP1A2CASP3ALDH1A1KDM4EMAPT
SCHEMBL28306505 0.75 CYP1A2 (0.50) CYP1A2CASP3ALDH1A1KDM4EMAPT
SCHEMBL30297855 0.74 CYP1A2 (0.46) CYP1A2CASP3ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4016663-B1 ELECTRODE MATERIAL FOR THE PRINTING OF POLYMER BATTERIES INNOVATIONLAB GMBH (DE) 2023-10-11 EP disclosed
US-20220220115-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-07-14 US disclosed
WO-2020233592-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS AND USES THEREOF INVENTISBIO SHANGHAI LTD. (CN) 2020-11-26 WO disclosed
WO-2020227588-A1 PEPTIDOMIMETIC AGENTS, SYNTHESIS AND USES THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 WO disclosed
US-20200354404-A1 PEPTIDOMIMETIC AGENTS, SYNTHESIS AND USES THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 US disclosed
WO-2020079229-A1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LIMITED (GB) 2020-04-23 WO disclosed
EP-2797417-B1 SELECTIVE INHIBITION OF PHOSPHOENOLPYRUVATE CARBOXYLASES OF C4 PLANTS HEINRICH HEINE UNIV DUESSELDORF (DE) 2019-07-31 EP disclosed
WO-2019074979-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF GIRAFPHARMA, LLC (US) 2019-04-18 WO disclosed
WO-2017075629-A2 WEE 1 KINASE INHIBITORS AND METHODS OF MAKING AND USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2017-05-04 WO disclosed
US-9120767-B2 Arylosulfonamides for the treatment of CNS diseases ADAMED SP. Z.O.O. (PL) 2015-09-01 US disclosed
US-20140336200-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ADAMED SP. Z O.O. (PL) 2014-11-13 US disclosed
US-8822517-B2 Arylosulfonamides for the treatment of CNS diseases ADAMED SP. Z O.O. (PL) 2014-09-02 US disclosed
US-20130172365-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ADAMED SP. Z.O.O. (PL) 2013-07-04 US disclosed
US-7919528-B2 Antibiotic; bactericides GLAXOSMITHKLINE LLC (US) 2011-04-05 US disclosed
US-7700552-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2010-04-20 US disclosed
US-7507726-B2 Peptide deformylase inhibitors SMITHKLINEBEECHAM CORPORATION (US) 2009-03-24 US disclosed
US-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus MEDIVIR AB (SE) 2009-01-22 US disclosed
US-20080167302-A1 Peptide Deformylase Inhibitors GLAXOSMITHKLINE LLC 2008-07-10 US disclosed
US-20080058312-A1 Modulators of hepatocyte growth factor/c-Met activity ANGION BIOMEDICA CORPORATION (US) 2008-03-06 US disclosed
WO-2007064316-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-07 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 (7 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-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus CTRC, NOX3, HAVCR2 CYP1A2 1007/4885CASP3 50/4885ALDH1A1 2532/4885
US-20140336200-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ARSA, PMP22, STS CYP1A2 242/4885CASP3 3226/4885ALDH1A1 132/4885
US-20220220115-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 CYP1A2 3179/4885CASP3 1441/4885ALDH1A1 2869/4885
US-20130172365-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ARSA, PMP22, STS CYP1A2 242/4885CASP3 3226/4885ALDH1A1 132/4885
US-20080167302-A1 Peptide Deformylase Inhibitors PDF, PEPD, DPEP1 CYP1A2 4681/4885CASP3 2724/4885ALDH1A1 4302/4885
US-20200354404-A1 PEPTIDOMIMETIC AGENTS, SYNTHESIS AND USES THEREOF DNPEP, PEPD, ANPEP CYP1A2 4534/4885CASP3 1914/4885ALDH1A1 4718/4885
US-20080058312-A1 Modulators of hepatocyte growth factor/c-Met activity HGF, MET, HDGF CYP1A2 2896/4885CASP3 1515/4885ALDH1A1 823/4885

“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.