SCHEMBL15529154

SCHEMBL15529154

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.41
POLB P06746 2/20 0.40
EPHX2 P34913 2/20 0.38
RAB9A P51151 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LDHA P00338 1/20 0.35
PTGER1 P34995 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TRPC1 P48995 1/20 0.35
TRPC3 Q13507 1/20 0.35
STIM1 Q13586 1/20 0.35
ORAI1 Q96D31 1/20 0.35

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
SCHEMBL15529142 0.87 EPHX2 (0.39) ALDH1A1MAPTPOLBEPHX2RAB9A
SCHEMBL15529118 0.86 CA9 (0.43) ALDH1A1MAPTPOLBEPHX2RAB9A
SCHEMBL7316435 0.83 TRPC3 (0.46) ALDH1A1MAPTPOLBRAB9AMEN1
SCHEMBL16660120 0.80 POLB (0.36) ALDH1A1MAPTPOLBEPHX2RAB9A
SCHEMBL18162954 0.80 CNR1 (0.38) ALDH1A1MAPTEPHX2KDM4ESMN1; SMN2
SCHEMBL218810 0.75 KMT2A (0.59) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL3975817 0.75 ALDH1A1 (0.72) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL15529170 0.74 KDM4E (0.42) ALDH1A1MAPTPOLBEPHX2MEN1
SCHEMBL15529546 0.72 MAPT (0.37) MAPTPOLBEPHX2RAB9ACHRNB2
SCHEMBL4097251 0.72 RPA1 (0.60) ALDH1A1SMN1; SMN2RPA1

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 ALDH1A1 2095/4885MAPT 2296/4885POLB 4848/4885
US-20160304507-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 ALDH1A1 2095/4885MAPT 2296/4885POLB 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.