SCHEMBL1500147

SCHEMBL1500147

O=c1c2ccc(Br)cc2ccn1C(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.35
PTGS2 P35354 4/20 0.33
PSMB1 P20618 1/20 0.33
PSMB5 P28074 1/20 0.33
DAO P14920 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
METAP2 P50579 1/20 0.33
MIF P14174 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
TDP2 O95551 1/20 0.31
CDC25B P30305 1/20 0.31
CASP6 P55212 1/20 0.31
PPP1CA P62136 1/20 0.31
NCEH1 Q6PIU2 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
CYP2A6 P11509 1/20 0.31

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
SCHEMBL1500297 0.83 HTR2A (0.39) ERN1PSMB1PSMB5DAOHTR2A
SCHEMBL28595328 0.78 RXFP1 (0.39) ERN1PSMB1PSMB5DAOHTR2A
SCHEMBL1500397 0.76 HTR2C (0.46) ERN1PSMB1PSMB5DAOHTR2A
SCHEMBL2124366 0.76 DPP4 (0.39) PTGS2HTR2AHTR2CMEN1KMT2A
SCHEMBL30861604 0.75 HTR2A (0.46) PTGS2HTR2AHTR2CMEN1KMT2A
SCHEMBL582859 0.74 CCNE2 (0.41) ERN1PSMB1PSMB5DAOHTR2A
SCHEMBL29809118 0.74 CCNE2 (0.41) ERN1PSMB1PSMB5DAOHTR2A
SCHEMBL582559 0.73 TDP1 (0.40) PSMB1PSMB5DAOHTR2AHTR2C
SCHEMBL2122301 0.73 APLNR (0.37) PTGS2MEN1KMT2ATDP2CDC25B
SCHEMBL18239826 0.72 SLC6A2 (0.43) HTR2AHTR2CMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160208-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-30 US disclosed
US-7902369-B2 Diaryl-substituted five-membered heterocycle derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-20070173507-A1 Dairyl-substituted five-membered heterocycle derivative MSD K.K. (JP) 2007-07-26 US disclosed
EP-1726585-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 EP 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 (2 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-20110160208-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE OPRK1, GRM1, GRIK1 ERN1 2450/4885PTGS2 156/4885PSMB1 3279/4885
US-20070173507-A1 Dairyl-substituted five-membered heterocycle derivative OPRK1, OPRL1, GRM1 ERN1 2276/4885PTGS2 322/4885PSMB1 3043/4885

“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.