SCHEMBL4242013

SCHEMBL4242013

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
NPSR1 Q6W5P4 4/20 0.58
LMNA P02545 3/20 0.58
HTT P42858 2/20 0.58
MEN1 O00255 1/20 0.55
POLB P06746 1/20 0.55
KMT2A Q03164 1/20 0.55
HPGD P15428 2/20 0.50
CYP1A2 P05177 3/20 0.49
CYP2D6 P10635 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
CYP3A4 P08684 2/20 0.49
ALDH1A1 P00352 5/20 0.47
GAA P10253 3/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
EGFR P00533 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL4237264 0.91 LMNA (0.58) MAPTNPSR1LMNAHTTMEN1
SCHEMBL4233437 0.88 LMNA (0.75) MAPTNPSR1LMNAHTTMEN1
SCHEMBL4238338 0.84 MEN1 (0.58) MAPTNPSR1LMNAHTTMEN1
SCHEMBL14161015 0.84 KMT2A (0.71) MAPTNPSR1LMNAHTTMEN1
SCHEMBL4245035 0.84 EGFR (0.62) MAPTNPSR1LMNAHTTMEN1
SCHEMBL4241291 0.82 MEN1 (0.58) MAPTNPSR1LMNAHTTMEN1
SCHEMBL4237229 0.82 MEN1 (0.58) MAPTNPSR1LMNAHTTMEN1
SCHEMBL4242039 0.82 NPSR1 (0.66) MAPTNPSR1LMNAHTTMEN1
SCHEMBL4242316 0.81 MAPT (0.55) MAPTNPSR1LMNAHTTMEN1
SCHEMBL4233285 0.81 MAPT (0.55) MAPTNPSR1LMNAHTTMEN1

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 MAPT 4430/4885NPSR1 981/4885LMNA 3751/4885

“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.