SCHEMBL4243643

SCHEMBL4243643

COc1ccccc1CN1CCc2nc(NC(=O)c3cccc4[nH]c(C(N)=O)nc34)sc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
ALDH1A1 P00352 5/20 0.46
MAPT P10636 5/20 0.46
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 5/20 0.46
NPC1 O15118 3/20 0.44
MAPK1 P28482 1/20 0.44
F10 P00742 1/20 0.42
KDR P35968 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
HPGD P15428 2/20 0.41
CYP2C19 P33261 2/20 0.41
POLB P06746 1/20 0.40
ROCK2 O75116 3/20 0.40
CYP2C9 P11712 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL4240690 0.92 RAB9A (0.46) RAB9AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL4243661 0.91 MAPT (0.47) RAB9AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL4239162 0.87 MAPT (0.50) RAB9AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL4246130 0.86 RAB9A (0.49) RAB9AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL4244252 0.85 ALDH1A1 (0.56) RAB9AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL4239423 0.84 PARP1 (0.52) RAB9AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL4235553 0.84 ALDH1A1 (0.47) RAB9AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL4244386 0.84 ALDH1A1 (0.47) RAB9AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL4239703 0.84 ALDH1A1 (0.53) RAB9AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL4248446 0.84 PARP1 (0.55) RAB9AALDH1A1MAPTKDM4ESMN1; 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 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 RAB9A 2719/4885ALDH1A1 1717/4885MAPT 85/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP RAB9A 2719/4885ALDH1A1 1717/4885MAPT 85/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP RAB9A 2719/4885ALDH1A1 1717/4885MAPT 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.