SCHEMBL10046377

SCHEMBL10046377

Bc1c(OC)ccc2c(S)cc(-c3cnc(-c4ccccc4)[nH]3)nc12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.48
SMPD3 Q9NY59 1/20 0.46
SCN2A Q99250 7/20 0.44
NPY5R Q15761 5/20 0.43
RECQL P46063 1/20 0.42
PDE10A Q9Y233 1/20 0.38
IDO1 P14902 2/20 0.37
TDO2 P48775 2/20 0.37
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36

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
SCHEMBL10046378 0.77 TDO2 (0.39) HPGDSPDE10AIDO1TDO2
SCHEMBL10046381 0.72 KDR (0.34) PDE10A
SCHEMBL10046380 0.71 NPC1 (0.34)
SCHEMBL10046382 0.71 PDE10A (0.37) PDE10AIDO1TDO2
SCHEMBL13074827 0.71 HPGDS (0.44) HPGDSSMPD3SCN2ANPY5RRECQL
SCHEMBL10046376 0.70 PDGFRB (0.38) PDE10A
SCHEMBL30406553 0.66 SCN2A (0.61) HPGDSSMPD3SCN2ANPY5RRECQL
SCHEMBL2842992 0.66 HPGDS (1.00) HPGDSSMPD3SCN2ANPY5RRECQL
SCHEMBL9892707 0.65 CYP19A1 (0.39) PDE10AIDO1TDO2
SCHEMBL22291104 0.63 SMPD3 (1.00) HPGDSSMPD3SCN2ANPY5RRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165534-A1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 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 (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-20120165534-A1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES HCCS, CYP3A7, ABL1 HPGDS 2246/4885SMPD3 3450/4885SCN2A 2986/4885

“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.