SCHEMBL15529546

SCHEMBL15529546

Cn1nc(-c2cc(C(F)(F)F)n(-c3ccc([N+](=O)[O-])nc3)n2)oc1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37
NOTUM Q6P988 2/20 0.36
EPHX2 P34913 4/20 0.34
ALOX5 P09917 1/20 0.32
TBXAS1 P24557 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
CHRNB2 P17787 3/20 0.31
CHRNA4 P43681 3/20 0.31
CHRNB4 P30926 2/20 0.30
CHRNA3 P32297 2/20 0.30

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
SCHEMBL15529743 0.83 NOTUM (0.38) MAPTNOTUMEPHX2ALOX5TBXAS1
SCHEMBL15529170 0.76 KDM4E (0.42) MAPTPOLBEPHX2SMN1; SMN2PTGS1
SCHEMBL7316435 0.76 TRPC3 (0.46) MAPTRAB9APOLBPTGS1PTGS2
SCHEMBL30096530 0.74 STIM1 (0.49) POLBNOTUMEPHX2ALOX5TBXAS1
SCHEMBL15529855 0.74 STIM1 (0.49) POLBNOTUMEPHX2ALOX5TBXAS1
SCHEMBL15528765 0.74 IL2 (0.55) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL30096580 0.74 IL2 (0.55) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL30096553 0.74 EPHX2 (0.48) RAB9AEPHX2ALOX5TBXAS1SLC6A3
SCHEMBL15529415 0.74 EPHX2 (0.48) RAB9AEPHX2ALOX5TBXAS1SLC6A3
SCHEMBL16650186 0.73 EPHX2 (0.51) MAPTRAB9APOLBEPHX2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-10-20 US disclosed
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-10-20 US disclosed
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-10-20 US disclosed
US-9409898-B2 Substituted pyrazole compounds as CRAC modulators LUPIN LIMITED (IN) 2016-08-09 US disclosed
US-9409898-B2 Substituted pyrazole compounds as CRAC modulators LUPIN LIMITED (IN) 2016-08-09 US disclosed
US-9409898-B2 Substituted pyrazole compounds as CRAC modulators LUPIN LIMITED (IN) 2016-08-09 US disclosed
US-20150111925-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2015-04-23 US disclosed
US-20150111925-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2015-04-23 US disclosed
US-20150111925-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2015-04-23 US disclosed
EP-2844656-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS Lupin Limited (IN) 2015-03-11 EP disclosed
WO-2013164773-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2013-11-07 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 (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-20150111925-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 MAPT 2296/4885RAB9A 840/4885POLB 4848/4885
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 MAPT 2296/4885RAB9A 840/4885POLB 4848/4885

“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.