SCHEMBL3410258

SCHEMBL3410258

COc1ccc(CCNc2c(N)cccc2O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA5A P35218 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
PTGDR Q13258 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
HDAC1 Q13547 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADRB3 P13945 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL4414240 0.75 MAPT (0.40) MAPTCA12CA1CA2CA5A
SCHEMBL20810767 0.74 IDO1 (0.42) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL10730707 0.73 ACP1 (0.51) MAPTMEN1KMT2APOLBHDAC1
SCHEMBL29256757 0.71 CALM1 (0.55) SMN1; SMN2KDM4ECALM1
SCHEMBL31528755 0.70 SMN1; SMN2 (0.61) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL15145368 0.70 ALDH1A1 (0.57) MEN1KMT2APOLBHDAC1SMN1; SMN2
SCHEMBL9979791 0.70 HDAC1 (0.63) MAPTCA1CA2MEN1KMT2A
SCHEMBL6687730 0.70 MAPT (0.86) MAPTCA12CA1CA2CA5A
SCHEMBL28641016 0.70 MAPT (0.73) MAPTSMN1; SMN2ADRB3KDM4ELMNA
SCHEMBL6226359 0.69 MAPT (0.73) MAPTMEN1KMT2APOLBBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816330-B2 Substituted benzimidazole-, benztriazole-, and benzimidazolone-O-glucosides JANSSEN PHARMACEUTICA NV (BE) 2010-10-19 US disclosed
US-20100004188-A1 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES URBANSKI MAUD 2010-01-07 US disclosed
EP-1679966-A4 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES JANSSEN PHARMACEUTICA NV (BE) 2009-05-27 EP disclosed
US-20090105165-A1 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES URBANSKI MAUD 2009-04-23 US disclosed
US-7511020-B2 Substituted benzimidazole-, benztriazole-, and benzimidazolone-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-31 US disclosed
US-20060234954-A1 Substituted benzimidazole-, benztriazole-, and benzimidazolone-O-glucosides Tanabe Pharma Corporation (JP) 2006-10-19 US disclosed
US-7094764-B2 Substituted benzimidazole-, Benztriazole-, and benzimidazolone-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-22 US disclosed
EP-1679966-A2 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-19 EP disclosed
US-20050032712-A1 Substituted benzimidazole-, benztriazole-, and benzimidazolone-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 US disclosed
WO-2005012242-A2 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES JANSSEN PHARMACEUTICA NV (BE) 2005-02-10 WO 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 (4 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-20090105165-A1 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES GANAB, GCG, B3GAT3 MAPT 3327/4885CA12 4635/4885CA1 4821/4885
US-20050032712-A1 Substituted benzimidazole-, benztriazole-, and benzimidazolone-O-glucosides GANAB, GCG, GANC MAPT 3315/4885CA12 4626/4885CA1 4821/4885
US-20100004188-A1 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES GANAB, GCG, GANC MAPT 3315/4885CA12 4626/4885CA1 4821/4885
US-20060234954-A1 Substituted benzimidazole-, benztriazole-, and benzimidazolone-O-glucosides GANAB, GCG, B3GAT3 MAPT 3237/4885CA12 4634/4885CA1 4817/4885

“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.