SCHEMBL4237264

SCHEMBL4237264

O=c1c2ccccc2nc(-c2cccc(OC(F)(F)F)c2)n1NCc1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
NPSR1 Q6W5P4 3/20 0.58
MAPT P10636 3/20 0.58
HTT P42858 3/20 0.58
POLB P06746 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 5/20 0.53
HPGD P15428 2/20 0.50
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
GAA P10253 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
ABCB1 P08183 1/20 0.45
EGFR P00533 1/20 0.45

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
SCHEMBL4242013 0.91 MAPT (0.58) LMNANPSR1MAPTHTTPOLB
SCHEMBL4240632 0.88 NPSR1 (0.75) LMNANPSR1MAPTHTTPOLB
SCHEMBL4233360 0.85 ALDH1A1 (0.61) LMNANPSR1MAPTHTTPOLB
SCHEMBL4241971 0.82 MEN1 (0.55) LMNANPSR1MAPTHTTPOLB
SCHEMBL4242390 0.82 ALDH1A1 (0.62) LMNANPSR1MAPTHTTPOLB
SCHEMBL4245024 0.82 CYP1A2 (0.65) LMNANPSR1MAPTHTTPOLB
SCHEMBL4233257 0.81 ALDH1A1 (0.53) LMNANPSR1MAPTHTTPOLB
SCHEMBL4241303 0.80 ALDH1A1 (0.55) LMNANPSR1MAPTHTTPOLB
SCHEMBL4237651 0.79 SMN1; SMN2 (0.67) LMNANPSR1MAPTHTTPOLB
SCHEMBL4241291 0.79 MEN1 (0.58) LMNANPSR1MAPTHTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090035306-A1 QUINAZOLINONE MODULATORS OF TGR5 KALYPSYS, INC. (US) 2009-02-05 US disclosed
US-20090035306-A1 QUINAZOLINONE MODULATORS OF TGR5 KALYPSYS, INC. (US) 2009-02-05 US disclosed
US-20090035306-A1 QUINAZOLINONE MODULATORS OF TGR5 KALYPSYS, INC. (US) 2009-02-05 US disclosed
WO-2008067219-A2 QUINAZOLINONE MODULATORS OF TGR5 KALYPSYS, INC. (US) 2008-06-05 WO disclosed
WO-2008067219-A2 QUINAZOLINONE MODULATORS OF TGR5 KALYPSYS, INC. (US) 2008-06-05 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-20090035306-A1 QUINAZOLINONE MODULATORS OF TGR5 GRK5, PLAAT5, GPBAR1 LMNA 3751/4885NPSR1 981/4885MAPT 4430/4885

“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.