SCHEMBL4235006

SCHEMBL4235006

Nc1nc2c(C(=O)Nc3nc4c(s3)CN(Cc3cnc5ccccc5c3)CC4)cccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.49
▸ KDM4E B2RXH2 5/20 0.49
▸ MAPT P10636 5/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ GAA P10253 6/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ USP2 O75604 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ NCOA2 Q15596 1/20 0.43
▸ NCOA1 Q15788 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ FAAH O00519 10/20 0.41
▸ CASP1 P29466 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
SCHEMBL4235003 0.91 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL1201933 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL4239713 0.85 MAPT (0.54) ALDH1A1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL6104300 0.85 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL4244264 0.85 MAPT (0.58) ALDH1A1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL4244559 0.84 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL4243788 0.84 MAPT (0.51) ALDH1A1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL4235562 0.84 MAPT (0.49) ALDH1A1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL4246137 0.83 RAB9A (0.51) ALDH1A1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL4239176 0.83 MAPT (0.51) ALDH1A1KDM4EMAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 — — 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-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 (2 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 ALDH1A1 1717/4885KDM4E 3510/4885MAPT 85/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP ALDH1A1 1717/4885KDM4E 3510/4885MAPT 85/4885

“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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