SCHEMBL4891633

SCHEMBL4891633

Cc1cc(C)n2cc(C=O)nc2c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.36
PDE10A Q9Y233 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.32
TERT O14746 1/20 0.31
ERN1 O75460 1/20 0.31

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
SCHEMBL31035766 0.75
SCHEMBL870663 0.75 GAA (0.48) HRH3PDE10AKDM4EALDH1A1KMT2A
SCHEMBL13403196 0.75 KDM4E (0.43) HRH3PDE10AKDM4EALDH1A1KMT2A
SCHEMBL9570309 0.71 PDE10A (0.46) HRH3PDE10AKDM4EALDH1A1KMT2A
SCHEMBL28842799 0.70 GAA (0.40) HRH3PDE10AKDM4EALDH1A1KMT2A
SCHEMBL4885799 0.70 SMN1; SMN2 (0.53) KDM4EALDH1A1KMT2A
SCHEMBL28842805 0.69 NOS3 (0.42) HRH3PDE10AKDM4EALDH1A1
SCHEMBL23530802 0.68 PDE10A (0.46) HRH3PDE10AKDM4EALDH1A1KMT2A
SCHEMBL13384210 0.68 PDE10A (0.46) HRH3PDE10AKDM4EALDH1A1KMT2A
SCHEMBL10974012 0.67 NOS2 (0.43) KDM4EALDH1A1KMT2ATERTERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171740-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 US disclosed
EP-1793825-A2 CHEMCIAL COMPOUNDS SmithKline Beecham Corporation (US) 2007-06-13 EP disclosed
WO-2006036816-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-06 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 (1 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-20080171740-A1 Chemical Compounds CXCR4, CCR5, CXCR3 HRH3 816/4885PDE10A 2629/4885KDM4E 4010/4885

“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.