SCHEMBL5456883

SCHEMBL5456883

O=[C]c1cc2c(o1)CCCC2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
POLB P06746 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
CYP2D6 P10635 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
PRKCI P41743 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL28725429 0.73 POLB (0.40) KMT2APOLBCYP1A2CYP2C19RECQL
SCHEMBL29225055 0.73 POLB (0.43) KMT2APOLBCYP1A2CYP2C19RECQL
SCHEMBL10426958 0.73 TDP1 (0.53) KMT2APOLBCYP1A2CYP2C19RECQL
SCHEMBL24177880 0.73 POLB (0.40) KMT2APOLBCYP1A2CYP2C19RECQL
SCHEMBL16320316 0.71 CDC25B (0.30)
SCHEMBL23121598 0.70 KMT2A (0.39) KMT2APOLBCYP1A2CYP2C19RECQL
SCHEMBL9803087 0.70 CYP1A2 (0.51) KMT2APOLBCYP1A2CYP2C19RECQL
SCHEMBL3135172 0.69 TDP1 (0.53) KMT2APOLBCYP1A2CYP2C19RECQL
SCHEMBL2417478 0.69 POLB (0.64) KMT2APOLBCYP1A2CYP2C19RECQL
SCHEMBL22905482 0.68 POLB (0.40) KMT2APOLBCYP1A2CYP2C19RECQL

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-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 US disclosed
EP-1678138-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV Takeda Pharmaceutical Company Limited (JP) 2006-07-12 EP disclosed
WO-2005042488-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 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-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV DPP4, DPP3, PEPD KMT2A 1601/4885POLB 2559/4885CYP1A2 343/4885

“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.