SCHEMBL7316435

SCHEMBL7316435

O=[N+]([O-])c1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 3/20 0.46
PTGS1 P23219 2/20 0.45
MAPT P10636 5/20 0.45
ORAI1 Q96D31 3/20 0.44
TRPC1 P48995 1/20 0.44
STIM1 Q13586 1/20 0.44
PTGS2 P35354 3/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 1/20 0.40
TRPC5 Q9UL62 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL14226058 0.86 STIM1 (0.49) PTGS1MAPTORAI1STIM1PTGS2
SCHEMBL15529154 0.83 ALDH1A1 (0.43) TRPC3MAPTORAI1TRPC1STIM1
SCHEMBL5212572 0.81 PTGS1 (0.66) TRPC3PTGS1MAPTORAI1TRPC1
SCHEMBL15529118 0.79 CA9 (0.43) TRPC3MAPTORAI1TRPC1STIM1
SCHEMBL15529170 0.78 KDM4E (0.42) PTGS1MAPTPOLBKDM4EMEN1
SCHEMBL15529142 0.77 EPHX2 (0.39) TRPC3MAPTORAI1TRPC1STIM1
SCHEMBL7326656 0.76 KDM4E (0.52) TRPC3PTGS1MAPTORAI1TRPC1
SCHEMBL15529546 0.76 MAPT (0.37) PTGS1MAPTPTGS2POLBRAB9A
SCHEMBL14240343 0.76 TRPC3 (0.44) TRPC3PTGS1MAPTORAI1TRPC1
SCHEMBL30276683 0.76 MAPT (0.47) MAPTPOLBMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160304502-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-10-20 US disclosed
US-20160304502-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-10-20 US disclosed
US-20140309237-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-10-16 US disclosed
US-20140309237-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-10-16 US disclosed
US-20130245063-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-09-19 US disclosed
US-20130245063-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-09-19 US disclosed
US-20120316182-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-12-13 US disclosed
US-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES 2001-11-22 US disclosed
EP-1068187-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 2001-01-17 EP disclosed
WO-1999051580-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 1999-10-14 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 (5 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-20120316182-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 TRPC3 39/4885PTGS1 541/4885MAPT 1478/4885
US-20140309237-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 TRPC3 39/4885PTGS1 541/4885MAPT 1478/4885
US-20130245063-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 TRPC3 39/4885PTGS1 541/4885MAPT 1478/4885
US-20160304502-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 TRPC3 39/4885PTGS1 541/4885MAPT 1478/4885
US-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION IL5, IL2, IL4 TRPC3 4362/4885PTGS1 197/4885MAPT 2674/4885

“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.