SCHEMBL4244271

SCHEMBL4244271

NC(=O)c1nc2cccc(C(=O)NCc3ccc(OC(F)(F)F)cc3)c2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.49
EGLN1 Q9GZT9 1/20 0.47
MMP13 P45452 1/20 0.46
EPHX2 P34913 2/20 0.45
NR1H4 Q96RI1 1/20 0.45
PTGER4 P35408 1/20 0.44
PDE2A O00408 1/20 0.43
KLKB1 P03952 1/20 0.43
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
TRPV1 Q8NER1 2/20 0.42
CTNNB1 P35222 1/20 0.41
TCF7L2 Q9NQB0 1/20 0.41
PPARA Q07869 3/20 0.40
PPARD Q03181 2/20 0.40
PPARG P37231 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40

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
SCHEMBL4244275 0.88 HTR2C (0.51) HTR2CEGLN1MMP13EPHX2NR1H4
SCHEMBL4239186 0.87 HPGD (0.50) EGLN1MMP13
SCHEMBL4246314 0.85 SMN1; SMN2 (0.50) EGLN1
SCHEMBL4239959 0.84 SMN1; SMN2 (0.53)
SCHEMBL4239339 0.83 HPGD (0.52)
SCHEMBL4241582 0.83 POLA1 (0.46) EGLN1
SCHEMBL4241181 0.81 KMT2A (0.54) CA12CA1CA2CA7
SCHEMBL4246334 0.81 KLKB1 (0.43) MMP13EPHX2KLKB1
SCHEMBL4235809 0.80 PTGER4 (0.44) MMP13PTGER4PPARAPPARDPPARG
SCHEMBL4242333 0.80 AURKA (0.44) EGLN1MMP13

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 6 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-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 US disclosed
EP-2457901-A1 Benzazole derivatives, compositions, and methods of use as B-secretase inhibitors High Point Pharmaceuticals, LLC (US) 2012-05-30 EP 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-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 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 (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 HTR2C 3214/4885EGLN1 1544/4885MMP13 403/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP HTR2C 3214/4885EGLN1 1544/4885MMP13 403/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP HTR2C 3214/4885EGLN1 1544/4885MMP13 403/4885

“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.