SCHEMBL4118331

SCHEMBL4118331

O=c1cc(CBr)c2ccc(F)cc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 2/20 0.46
GPR84 Q9NQS5 1/20 0.45
FEN1 P39748 1/20 0.44
DAO P14920 3/20 0.43
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTR2A P28223 1/20 0.41
SMYD3 Q9H7B4 1/20 0.40
PARP1 P09874 1/20 0.40
HTR1A P08908 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
DDO Q99489 1/20 0.39
CDC25A P30304 1/20 0.38
CDC25C P30307 1/20 0.38

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
SCHEMBL1774421 0.81 FEN1 (0.45) TNKS2GPR84FEN1DAOLMNA
SCHEMBL1775740 0.81 TNKS2 (0.44) TNKS2GPR84FEN1DAOLMNA
SCHEMBL8936178 0.80 GPR17 (0.38) TNKS2HPGDKDM4EALDH1A1MEN1
SCHEMBL1776571 0.80 TSHR (0.52) TNKS2GPR84FEN1LMNAHPGD
SCHEMBL4112701 0.79 GPR84 (0.42) TNKS2GPR84DAOKDM4E
SCHEMBL4045859 0.77 ALDH1A1 (0.59) TNKS2HPGDKDM4EALDH1A1MEN1
SCHEMBL29770446 0.77 ALDH1A1 (0.59) TNKS2HPGDKDM4EALDH1A1MEN1
SCHEMBL1378769 0.75 TNKS2 (0.75) TNKS2FEN1DAOLMNAHPGD
SCHEMBL9766070 0.75 PARP1 (0.45) TNKS2FEN1HPGDKDM4EALDH1A1
SCHEMBL2798042 0.74 TNKS2 (0.50) TNKS2FEN1DAOLMNAHPGD

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
WO-2007117778-A9 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS INC (US) 2009-05-22 WO disclosed
EP-1986747-A2 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS Kalypsys, Inc. (US) 2008-11-05 EP disclosed
US-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2008-06-12 US disclosed
WO-2007117778-A2 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2007-10-18 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-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS NOS2, NOS1, NQO2 TNKS2 2048/4885GPR84 3142/4885FEN1 634/4885

“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.