SCHEMBL586172

SCHEMBL586172

[c]1ccccc1-n1cncn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.42
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.36
CYP19A1 P11511 2/20 0.35
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33
PIM1 P11309 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK10 P53779 1/20 0.31
CYP3A4 P08684 1/20 0.31
FBP1 P09467 1/20 0.31
HSP90AA1 P07900 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL10515945 0.73 CYP2A6 (0.39) CYP2A6KDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL28777077 0.73 CYP2A6 (0.39) CYP2A6KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL28597830 0.73 KDM4E (0.40) CYP2A6KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL5472442 0.72 CYP2A6 (0.49) CYP2A6KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL28596221 0.72 SMN1; SMN2 (0.37) CYP2A6KDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL296899 0.71 MAPK1 (0.42) KDM4EALDH1A1SMN1; SMN2LMNAGLA
SCHEMBL28596244 0.70 KDM4E (0.38) CYP2A6KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL1196464 0.70 CYP19A1 (0.39) CYP2A6KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL289744 0.69 CYP2A6 (0.46) CYP2A6KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL184324 0.69 NOTUM (0.52) KDM4EALDH1A1LMNAHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2023-10-26 US claimed
US-RE48841-E1 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-12-07 US claimed
CN-113164459-A Monoacylglycerol lipase modulators 詹森药业有限公司 2021-07-23 CN claimed
US-11059828-B2 Disubstituted octahydropyrrolo[3,4-C]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-07-13 US claimed
EP-3107898-B1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2021-01-06 EP claimed
US-10689373-B2 1,2-substituted cyclopentanes as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-23 US claimed
US-20200048263-A1 Disubstituted Octahydropyrrolo[3,4-C]Pyrroles As Orexin Receptor Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-02-13 US claimed
EP-3093291-B1 DISUBSTITUTED OCTAHY - DROPYRROLO [3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-05-08 EP claimed
US-20180282309-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-04 US claimed
US-10011588-B2 1,2-substituted cyclopentanes as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-07-03 US claimed
US-7507732-B2 Cyclopentapyridine and tetrahydroquinoline derivatives PFIZER INC. (US) 2009-03-24 US claimed
US-20090069284-A1 Substituted 3-alkyl and 3-alkenyl azetidine derivatives MERCK SHARP & DOHME CORP. 2009-03-12 US claimed
EP-1972631-A1 Imidazopyridazines as PI3K lipid kinase inhibitors Novartis AG (CH) 2008-09-24 EP claimed
WO-2008037477-A1 PYRAZOLOPYRIMIDINES AS P13K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-04-03 WO claimed
EP-0335636-A1 Antiviral compounds SYNPHAR LABORATORIES INC. (CA) 1989-10-04 EP claimed
EP-0023026-B1 MIXTURES OF OPTICAL BRIGHTENERS AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1984-02-22 EP claimed
EP-0023028-B1 MIXTURES OF OPTICAL BRIGHTENERS AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1982-12-15 EP claimed
US-4336155-A CYANOSTYRYL COMPOUNDS AND OTHER BRIGHTENER HOECHST AKTIENGESELLSCHAFT (DE) 1982-06-22 US claimed
US-4330427-A Mixtures of optical brighteners HOECHST AKTIENGESELLSCHAFT (DE) 1982-05-18 US claimed
EP-0023026-A1 Mixtures of optical brighteners and their use HOECHST AKTIENGESELLSCHAFT (DE) 1981-01-28 EP claimed

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-20180282309-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R CYP2A6 867/4885KDM4E 1117/4885ALDH1A1 570/4885
US-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS CSNK1A1, CSNK1D, CSNK1G1 CYP2A6 1127/4885KDM4E 4330/4885ALDH1A1 1318/4885
US-10011588-B2 1,2-substituted cyclopentanes as orexin receptor antagonists HCRTR1, HCRTR2, NPY1R CYP2A6 854/4885KDM4E 1154/4885ALDH1A1 552/4885
US-20200048263-A1 Disubstituted Octahydropyrrolo[3,4-C]Pyrroles As Orexin Receptor Modulators HCRTR2, HCRTR1, OXTR CYP2A6 2771/4885KDM4E 454/4885ALDH1A1 3132/4885
US-20090069284-A1 Substituted 3-alkyl and 3-alkenyl azetidine derivatives CNR1, CNR2, MAG CYP2A6 598/4885KDM4E 1972/4885ALDH1A1 2399/4885
US-11059828-B2 Disubstituted octahydropyrrolo[3,4-C]pyrroles as orexin receptor modulators HCRTR2, HCRTR1, OXTR CYP2A6 2771/4885KDM4E 454/4885ALDH1A1 3132/4885
US-10689373-B2 1,2-substituted cyclopentanes as orexin receptor antagonists HCRTR1, HCRTR2, NPY1R CYP2A6 867/4885KDM4E 1117/4885ALDH1A1 570/4885

“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.