SCHEMBL4237239

SCHEMBL4237239

O=c1c2ccccc2nc(-c2cccc(F)c2)n1NCc1ccc(F)cc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.61
NPSR1 Q6W5P4 4/20 0.61
HPGD P15428 2/20 0.61
LMNA P02545 2/20 0.57
GAA P10253 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
MAPT P10636 3/20 0.52
HTT P42858 2/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
POLB P06746 1/20 0.52
ALDH1A1 P00352 5/20 0.49
MDM2 Q00987 1/20 0.49
GLA P06280 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
RAB9A P51151 2/20 0.43
NTRK1 P04629 1/20 0.43
APAF1 O14727 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL4237530 0.91 SMN1; SMN2 (0.73) SMN1; SMN2NPSR1HPGDLMNAGAA
SCHEMBL4238065 0.86 ALDH1A1 (0.65) SMN1; SMN2NPSR1HPGDLMNAGAA
SCHEMBL4238338 0.82 MEN1 (0.58) SMN1; SMN2NPSR1HPGDLMNAGAA
SCHEMBL4238054 0.81 NPSR1 (0.55) SMN1; SMN2NPSR1HPGDLMNAGAA
SCHEMBL4731878 0.80 MEN1 (0.56) SMN1; SMN2NPSR1HPGDLMNAGAA
SCHEMBL4237386 0.80 LMNA (0.53) SMN1; SMN2NPSR1HPGDLMNAGAA
SCHEMBL4240089 0.76 ALDH1A1 (0.56) SMN1; SMN2NPSR1HPGDLMNAGAA
SCHEMBL4242737 0.76 MEN1 (0.48) SMN1; SMN2NPSR1HPGDLMNAGAA
SCHEMBL4246629 0.76 NPSR1 (0.54) SMN1; SMN2NPSR1HPGDLMNAGAA
SCHEMBL4240256 0.75 MEN1 (0.60) SMN1; SMN2NPSR1HPGDLMNAGAA

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 SMN1; SMN2 4767/4885NPSR1 981/4885HPGD 1377/4885

“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.