SCHEMBL15529142

SCHEMBL15529142

O=C(O)NNC(=O)c1cc(C(F)(F)F)n(-c2ccc([N+](=O)[O-])nc2)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.39
CSF1R P07333 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CNR1 P21554 3/20 0.37
CNR2 P34972 3/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 1/20 0.36
PTGS2 P35354 1/20 0.36
ORAI1 Q96D31 2/20 0.36
TRPC1 P48995 1/20 0.36
TRPC3 Q13507 1/20 0.36
STIM1 Q13586 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL15529118 0.87 CA9 (0.43) EPHX2CSF1RKDM4ECNR1CNR2
SCHEMBL15529154 0.87 ALDH1A1 (0.43) EPHX2KDM4EMAPTALDH1A1ORAI1
SCHEMBL18162954 0.86 CNR1 (0.38) EPHX2CSF1RKDM4ETDP1CNR1
SCHEMBL16660120 0.84 POLB (0.36) EPHX2CSF1RKDM4ETDP1CNR1
SCHEMBL7316435 0.77 TRPC3 (0.46) KDM4EMAPTALDH1A1PTGS2ORAI1
SCHEMBL15529170 0.69 KDM4E (0.42) EPHX2KDM4ETDP1MAPTALDH1A1
SCHEMBL14226058 0.69 STIM1 (0.49) MAPTPTGS2ORAI1STIM1POLB
SCHEMBL15529546 0.67 MAPT (0.37) EPHX2MAPTPTGS2POLBRAB9A
SCHEMBL15528457 0.65 MAPT (0.40) KDM4ETDP1MAPTALDH1A1POLB
SCHEMBL218810 0.63 KMT2A (0.59) KDM4ECNR1CNR2ALDH1A1

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-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-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 EPHX2 4022/4885CSF1R 3144/4885KDM4E 3752/4885
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 EPHX2 4022/4885CSF1R 3144/4885KDM4E 3752/4885

“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.