SCHEMBL4233231

SCHEMBL4233231

COc1cc2nc(-c3ccc(F)cc3)n(NCc3ccc(Br)cc3)c(=O)c2cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 4/20 0.50
MAPT P10636 3/20 0.50
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
EGFR P00533 1/20 0.44
F2RL1 P55085 1/20 0.43
LMNA P02545 3/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 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
SCHEMBL4238641 0.87 NPSR1 (0.61) MEN1POLBKMT2ANPSR1MAPT
SCHEMBL4242353 0.85 SMN1; SMN2 (0.50) MEN1POLBKMT2ANPSR1MAPT
SCHEMBL4242256 0.84 MEN1 (0.48) MEN1POLBKMT2ANPSR1MAPT
SCHEMBL4239901 0.82 SMN1; SMN2 (0.54) MEN1POLBKMT2ANPSR1MAPT
SCHEMBL4236185 0.81 SMN1; SMN2 (0.67) MEN1POLBKMT2ANPSR1MAPT
SCHEMBL15452565 0.80 KMT2A (0.74) MEN1POLBKMT2ANPSR1MAPT
SCHEMBL4245014 0.80 KMT2A (0.62) MEN1POLBKMT2ANPSR1MAPT
SCHEMBL4201370 0.79 SMN1; SMN2 (0.50) MEN1POLBKMT2ANPSR1MAPT
SCHEMBL4233693 0.78 KMT2A (0.65) MEN1POLBKMT2ANPSR1MAPT
SCHEMBL4235803 0.78 KMT2A (0.65) MEN1POLBKMT2ANPSR1MAPT

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 MEN1 4781/4885POLB 4752/4885KMT2A 4183/4885

“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.