SCHEMBL436143

SCHEMBL436143

Cc1cn(C)c2ccccc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
IMPDH2 P12268 2/20 0.52
KDM4E B2RXH2 4/20 0.50
GPR84 Q9NQS5 1/20 0.50
CCNE2 O96020 1/20 0.50
CDK4 P11802 1/20 0.50
CCND1 P24385 1/20 0.50
CCNE1 P24864 1/20 0.50
CDK2 P24941 1/20 0.50
MAOB P27338 1/20 0.50
CCNT1 O60563 1/20 0.49
CDK9 P50750 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL146530 0.83 GPR84 (0.57) ALDH1A1IMPDH2KDM4EGPR84CCNE2
SCHEMBL29473770 0.83 GPR84 (0.57) ALDH1A1IMPDH2KDM4EGPR84CCNE2
SCHEMBL19686032 0.80 MAOB (0.40) ALDH1A1IMPDH2KDM4EGPR84CCNE2
SCHEMBL14221267 0.80 P2RX4 (0.46) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL7299293 0.78 KDM4E (0.53) ALDH1A1IMPDH2KDM4EGPR84CCNE2
SCHEMBL1421538 0.78 ALDH1A1 (0.50) ALDH1A1IMPDH2KDM4EGPR84CCNE2
SCHEMBL2747859 0.78 HTT (0.53) ALDH1A1IMPDH2KDM4EGPR84CCNE2
SCHEMBL11401880 0.78 L3MBTL1 (0.48) ALDH1A1IMPDH2KDM4EGPR84CCNE2
SCHEMBL19685965 0.78 MAOB (0.39) ALDH1A1IMPDH2KDM4ECCNE2CDK4
SCHEMBL436410 0.77 TP53 (0.49) ALDH1A1IMPDH2KDM4EMAOBGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330340-A1 Therapeutic agents The Boots Company PLC (GB) 1989-08-30 EP claimed
WO-1989007593-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1989-08-24 WO claimed
US-20220127266-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-04-28 US disclosed
US-11225480-B2 Malic enzyme inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-01-18 US disclosed
US-20210115038-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2021-04-22 US disclosed
WO-2021074898-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2021-04-22 WO disclosed
EP-2821401-B1 DIHYDROQUINOLINONE COMPOUNDS AS MODULATORS OF THE MUSCARININC M1 RECEPTOR TAKEDA PHARMACEUTICALS CO (JP) 2020-09-09 EP disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 US disclosed
WO-2010137738-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-02 WO disclosed
US-20100081652-A1 Cinnamoyl Compound and Use Thereof SHIRAKI HIROAKI 2010-04-01 US disclosed
US-20100081652-A1 Cinnamoyl Compound and Use Thereof SHIRAKI HIROAKI 2010-04-01 US disclosed
US-20090143368-A1 Use of Cinnamoyl Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-04 US disclosed
EP-1857455-A1 CINNAMOYL COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2007-11-21 EP disclosed
EP-0330340-A1 Therapeutic agents The Boots Company PLC (GB) 1989-08-30 EP disclosed
WO-1989007593-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1989-08-24 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 (8 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-20210115038-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 ALDH1A1 144/4885IMPDH2 759/4885KDM4E 1301/4885
US-11225480-B2 Malic enzyme inhibitors ME1, RNASE1, ME2 ALDH1A1 89/4885IMPDH2 1395/4885KDM4E 821/4885
US-20220127266-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 ALDH1A1 144/4885IMPDH2 759/4885KDM4E 1301/4885
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPV1, KCNJ1 ALDH1A1 1614/4885IMPDH2 2625/4885KDM4E 2537/4885
US-20100081652-A1 Cinnamoyl Compound and Use Thereof COL2A1, MMP7, COL14A1 ALDH1A1 474/4885IMPDH2 3056/4885KDM4E 2703/4885
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS KCNJ1, KCNJ2, KCNJ11 ALDH1A1 1441/4885IMPDH2 3022/4885KDM4E 1795/4885
US-20090143368-A1 Use of Cinnamoyl Compound COL2A1, COL1A1, SMAD2 ALDH1A1 749/4885IMPDH2 3779/4885KDM4E 1537/4885
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH ALDH1A1 461/4885IMPDH2 3246/4885KDM4E 3857/4885

“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.