SCHEMBL1880433

SCHEMBL1880433

O=[N+]([O-])c1ccc(-n2nc(C(F)(F)F)cc2CF)cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 9/20 0.62
PTGS2 P35354 15/20 0.58
CRACR2A Q9BSW2 1/20 0.47
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.45
CYP2C9 P11712 2/20 0.41

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
SCHEMBL1668127 0.88 PTGS1 (0.60) PTGS1PTGS2MAPTPOLBCYP2C9
SCHEMBL2732241 0.84 PTGS1 (0.56) PTGS1PTGS2MAPTPOLBCYP2C9
SCHEMBL5212572 0.82 PTGS1 (0.66) PTGS1PTGS2MAPTPOLBCYP2C9
SCHEMBL7318838 0.81 PTGS1 (0.64) PTGS1PTGS2MAPTPOLB
SCHEMBL14887386 0.81 MAPT (0.67) PTGS1PTGS2MAPTPOLBCYP2C9
SCHEMBL7319707 0.81 PTGS1 (0.64) PTGS1PTGS2MAPTPOLBCYP2C9
SCHEMBL7323516 0.81 PTGS1 (0.64) PTGS1PTGS2MAPTPOLBCYP2C9
SCHEMBL7242623 0.81 PTGS1 (0.64) PTGS1PTGS2MAPTPOLBCYP2C9
SCHEMBL1880301 0.79 PTGS2 (0.51) PTGS1PTGS2CRACR2ACYP2C9
SCHEMBL3278021 0.78 PTGS1 (0.62) PTGS1PTGS2MAPTPOLBCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10668051-B2 Modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS SA (CH) 2020-06-02 US disclosed
US-20190160046-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL RHIZEN PHARMACEUTICALS AG (CH) 2019-05-30 US disclosed
US-10246450-B2 Modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS SA (CH) 2019-04-02 US disclosed
US-20180222898-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL RHIZEN PHARMACEUTICALS AG (CH) 2018-08-09 US disclosed
EP-2509955-B1 PYRAZOLE DERIVATIVES AS MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL RHIZEN PHARMACEUTICALS S A (CH) 2018-04-25 EP disclosed
US-9944631-B2 Modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS SA (CH) 2018-04-17 US disclosed
EP-3299361-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL Rhizen Pharmaceuticals S.A. (CH) 2018-03-28 EP disclosed
US-20170313690-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL RHIZEN PHARMACEUTICALS AG (CH) 2017-11-02 US disclosed
US-9758514-B2 Modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS SA (CH) 2017-09-12 US disclosed
US-20150166526-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL RHIZEN PHARMACEUTICALS AG (CH) 2015-06-18 US disclosed
US-8921364-B2 Modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS SA (CH) 2014-12-30 US disclosed
US-20130310377-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL Rhizen Phamaceuticals SA (CH) 2013-11-21 US disclosed
US-8377970-B2 Modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS SA (CH) 2013-02-19 US disclosed
US-20110105447-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-05-05 US 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 (8 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-20110105447-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E PTGS1 1010/4885PTGS2 1000/4885CRACR2A 58/4885
US-10668051-B2 Modulators of calcium release-activated calcium channel ORAI1, CACNB2, CACNB1 PTGS1 917/4885PTGS2 830/4885CRACR2A 55/4885
US-20170313690-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E PTGS1 1010/4885PTGS2 1000/4885CRACR2A 58/4885
US-20190160046-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E PTGS1 1010/4885PTGS2 1000/4885CRACR2A 58/4885
US-20130310377-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E PTGS1 1010/4885PTGS2 1000/4885CRACR2A 58/4885
US-20150166526-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E PTGS1 1010/4885PTGS2 1000/4885CRACR2A 58/4885
US-20180222898-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E PTGS1 1010/4885PTGS2 1000/4885CRACR2A 58/4885
US-10246450-B2 Modulators of calcium release-activated calcium channel ORAI1, CACNB2, CACNB1 PTGS1 917/4885PTGS2 830/4885CRACR2A 55/4885

“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.