SCHEMBL4240679

SCHEMBL4240679

COc1ccc(CCNC(=O)Nc2cccc3nc(N)[nH]c23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.57
NPC1 O15118 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 1/20 0.53
FPR2 P25090 4/20 0.53
CNR1 P21554 1/20 0.48
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL4244464 0.90 KDM4E (0.60) TRPV1NPC1SMN1; SMN2RAB9AMEN1
SCHEMBL4240676 0.88 TRPV1 (0.56) TRPV1NPC1SMN1; SMN2MAPK1RAB9A
SCHEMBL4247246 0.83 ABCG2 (0.58) NPC1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1202265 0.79 TRPV1 (0.52) TRPV1NPC1SMN1; SMN2MAPK1RAB9A
SCHEMBL4244460 0.78 KDM4E (0.58) TRPV1NPC1SMN1; SMN2RAB9AMEN1
SCHEMBL4239188 0.74 HPGD (0.52) SMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL30858767 0.71 SMN1; SMN2 (0.77) NPC1SMN1; SMN2RAB9AFPR2CNR1
SCHEMBL4247241 0.71 ABCG2 (0.56) MEN1KMT2AALDH1A1KDM4EADORA2A
SCHEMBL16562079 0.71 FPR2 (0.86) NPC1SMN1; SMN2RAB9AFPR2CNR1
SCHEMBL4243630 0.70 MEN1 (0.53) NPC1SMN1; SMN2RAB9AMEN1KMT2A

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 TRPV1 3948/4885NPC1 188/4885SMN1; SMN2 1971/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP TRPV1 3948/4885NPC1 188/4885SMN1; SMN2 1971/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP TRPV1 3948/4885NPC1 188/4885SMN1; SMN2 1971/4885

“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.