SCHEMBL1201985

SCHEMBL1201985

CS(=O)(=O)c1ccc(CNC(=O)c2cc(C(F)(F)F)cc3nc(NC(=O)c4cc5ccccc5cn4)[nH]c23)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.43
KCNQ2 O43526 2/20 0.43
ELANE P08246 8/20 0.42
RORC P51449 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
MCHR1 Q99705 1/20 0.40
NAMPT P43490 5/20 0.40
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
EGFR P00533 1/20 0.38

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
SCHEMBL1201849 0.88 HDAC3 (0.42) HDAC3HDAC1HDAC2NAMPTCYP2C9
SCHEMBL1200997 0.88 MMP13 (0.43) HDAC3HDAC1HDAC2NAMPTCYP2C9
SCHEMBL1201424 0.81 MAPK8 (0.43) HDAC3HDAC1HDAC2NAMPTCYP2C9
SCHEMBL9611621 0.81 LMNA (0.46) CYP3A4CYP2C19
SCHEMBL1201420 0.81 NAMPT (0.44) HDAC3HDAC1HDAC2NAMPTCYP2C9
SCHEMBL1201673 0.81 HDAC3 (0.41) HDAC3HDAC1HDAC2NAMPTCYP2C9
SCHEMBL1200874 0.79 KMT2A (0.49) HDAC3HDAC1HDAC2NAMPTCYP2C9
SCHEMBL4234886 0.79 ELANE (0.48) KCNQ3KCNQ2ELANERORCNAMPT
SCHEMBL1202608 0.79 HDAC3 (0.41) HDAC3HDAC1HDAC2NAMPTCYP2C9
SCHEMBL1201444 0.78 EGFR (0.50) HDAC3HDAC1HDAC2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946259-B2 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2015-02-03 US disclosed
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2014-03-06 US disclosed
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US disclosed
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 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 (3 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP KCNQ3 2545/4885KCNQ2 3031/4885ELANE 791/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP KCNQ3 2606/4885KCNQ2 3012/4885ELANE 1105/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP KCNQ3 2545/4885KCNQ2 3031/4885ELANE 791/4885

“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.