SCHEMBL4238113

SCHEMBL4238113

Nc1nc2cccc(C(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)c2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.63
▸ ALDH1A1 P00352 6/20 0.63
▸ KDM4E B2RXH2 5/20 0.63
▸ SMN1; SMN2 Q16637 5/20 0.63
▸ RAB9A P51151 4/20 0.63
▸ KMT2A Q03164 4/20 0.63
▸ MEN1 O00255 2/20 0.63
▸ GAA P10253 7/20 0.61
▸ NPC1 O15118 2/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ CYP2C9 P11712 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ PPARG P37231 1/20 0.51
▸ NCOA2 Q15596 1/20 0.51
▸ NCOA1 Q15788 1/20 0.51
▸ NCOA3 Q9Y6Q9 1/20 0.51
▸ CASP1 P29466 1/20 0.50
▸ CASP7 P55210 1/20 0.50

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
SCHEMBL4238108 0.90 ALDH1A1 (0.61) MAPTALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL4235712 0.89 GAA (0.61) MAPTALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL1201627 0.83 MAPT (0.55) MAPTALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL4243680 0.81 RAB9A (0.44) MAPTALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL4242701 0.80 GAA (0.44) MAPTALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL4239713 0.80 MAPT (0.54) MAPTALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL4244264 0.79 MAPT (0.58) MAPTALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL4235006 0.79 ALDH1A1 (0.49) MAPTALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL4235704 0.79 GAA (0.59) MAPTALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL4235575 0.78 MAPT (0.52) MAPTALDH1A1KDM4ESMN1; SMN2RAB9A

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 MAPT 85/4885ALDH1A1 1717/4885KDM4E 3510/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP MAPT 85/4885ALDH1A1 1717/4885KDM4E 3510/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP MAPT 85/4885ALDH1A1 1717/4885KDM4E 3510/4885

“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.

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