SCHEMBL3766653

SCHEMBL3766653

Nc1ccc2c(c1)OC(C(=O)O)CO2

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 1/20 0.46
CHRNB4 P30926 4/20 0.45
CHRNA3 P32297 4/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
POLB P06746 2/20 0.44
NISCH Q9Y2I1 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 3/20 0.40
HTT P42858 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL21198154 0.89 NISCH (0.46) CHRNB4CHRNA3CHRNB2CHRNA4POLB
SCHEMBL9255239 0.82 DRD2 (0.49) RPS6KB2CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL11491200 0.81 TSHR (0.57) RPS6KB2POLBNISCHMAPTSMN1; SMN2
SCHEMBL1519311 0.81 L3MBTL1 (0.49) RPS6KB2POLBNPC1HTTALDH1A1
SCHEMBL20612385 0.81 RPS6KB2 (0.46) RPS6KB2POLBMAPTSMN1; SMN2NPC1
SCHEMBL1519098 0.81 RAB9A (0.49) RPS6KB2POLBSMN1; SMN2NPC1RAB9A
SCHEMBL1519446 0.81 RPS6KB2 (0.46) RPS6KB2POLBMAPTSMN1; SMN2NPC1
SCHEMBL9412114 0.78 KDM4E (0.53) RPS6KB2POLBMAPTKDM4ESMN1; SMN2
SCHEMBL229498 0.78 HPGD (0.61) POLBNISCHKDM4ESMN1; SMN2MEN1
SCHEMBL1300333 0.78 HPGD (0.61) POLBNISCHKDM4ESMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842806-B2 Pyridopyrimidone derivatives, preparation thereof, therapeutic use thereof SANOFI-AVENTIS (FR) 2010-11-30 US disclosed
US-20090048277-A1 PYRIDOPYRIMIDONE DERIVATIVES, PREPARATION THEREOF, THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-02-19 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 (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-20090048277-A1 PYRIDOPYRIMIDONE DERIVATIVES, PREPARATION THEREOF, THERAPEUTIC USE THEREOF DPYD, TYMP, PDXK RPS6KB2 3282/4885CHRNB4 4187/4885CHRNA3 3121/4885

“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.