SCHEMBL6100517

SCHEMBL6100517

CCCc1c(Cn2ccnc2-c2cccc(F)n2)nc2ncccn12

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.34
▸ HPGD P15428 5/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL6103645 0.92 ALDH1A1 (0.36) ALDH1A1HPGDKDM4ESMN1; SMN2GAA
SCHEMBL6101635 0.86 ALDH1A1 (0.35) ALDH1A1HPGDKDM4ESMN1; SMN2GAA
SCHEMBL6101779 0.83 ALDH1A1 (0.44) ALDH1A1HPGDKDM4ESMN1; SMN2GAA
SCHEMBL5266946 0.82 PDE1A (0.31) —
SCHEMBL6101706 0.80 PABPC1 (0.40) ALDH1A1GAA
SCHEMBL6102703 0.80 KCNH2 (0.34) —
SCHEMBL6101928 0.80 BRD4 (0.34) —
SCHEMBL7451258 0.80 KDM4E (0.31) ALDH1A1HPGDKDM4EGAA
SCHEMBL8301579 0.80 PDE1A (0.32) —
SCHEMBL6102146 0.79 KDM4E (0.36) ALDH1A1HPGDKDM4ESMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130150351-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-06-13 — — US disclosed
EP-2575455-A2 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY The Regents of the University of California (US) 2013-04-10 — — EP disclosed
WO-2011153377-A2 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-08 — — WO disclosed
US-20060014746-A1 Heteroaryl substituted fused bicyclic heteroaryl compounds as GABAA receptor ligands NEUROGEN CORPORATION 2006-01-19 — — US 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-20060014746-A1 Heteroaryl substituted fused bicyclic heteroaryl compounds as GABAA receptor ligands GABRA5, GABRA2, GABBR1 ALDH1A1 797/4885HPGD 2390/4885KDM4E 2625/4885
US-20130150351-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY GABBR2, GABBR1, GABRR3 ALDH1A1 1701/4885HPGD 3749/4885KDM4E 3317/4885

“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.

Send feedback