Toluene

Toluene

SCHEMBL4243778

C#Cc1cccnc1C(=O)Nc1nc2c(C(=O)O)cccc2[nH]1.Cc1ccccc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.44
ADORA2A P29274 2/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
PKM P14618 1/20 0.40
OPRK1 P41145 1/20 0.40
KLF5 Q13887 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 1/20 0.40
DHODH Q02127 4/20 0.39
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CA1 P00915 1/20 0.37

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
Benzene SCHEMBL1202650 0.94 MAOB (0.46) MAOBADORA2AADORA2BADORA1RAB9A
SCHEMBL4248463 0.91 DHODH (0.46) MAOBADORA2AADORA2BADORA1KDM4E
Cyclohexane SCHEMBL4235777 0.91 MAOB (0.44) MAOBADORA2AADORA2BADORA1RAB9A
SCHEMBL4236068 0.89 MAOB (0.43) MAOBADORA2AADORA2BADORA1KDM4E
Thiophene SCHEMBL4247759 0.89 MAOB (0.43) MAOBADORA2AADORA2BADORA1RAB9A
SCHEMBL4243764 0.88 MAOB (0.41) MAOBADORA2AADORA2BADORA1KDM4E
Benzene SCHEMBL1201060 0.86 RIPK1 (0.49) MAOBADORA2AADORA2BADORA1RAB9A
SCHEMBL4242349 0.85 MAOB (0.39) MAOBADORA2AADORA2BADORA1RAB9A
SCHEMBL4236059 0.83 MAOB (0.44) MAOBADORA2AADORA2BADORA1RAB9A
SCHEMBL4243669 0.82 KDM4E (0.41) MAOBADORA2AADORA2BADORA1RAB9A

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 MAOB 269/4885ADORA2A 3841/4885ADORA2B 2520/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP MAOB 269/4885ADORA2A 3841/4885ADORA2B 2520/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP MAOB 269/4885ADORA2A 3841/4885ADORA2B 2520/4885

“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.