SCHEMBL3413666

SCHEMBL3413666

CCc1ccc(Cn2nnc3cccc(O)c32)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.47
▸ GRM2 Q14416 5/20 0.43
▸ SLC9A1 P19634 2/20 0.43
▸ KCNMA1 Q12791 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP19A1 P11511 2/20 0.38
▸ MAPK10 P53779 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
SCHEMBL3408540 0.80 TSHR (0.46) TDP1GRM2SLC9A1KDM4EALDH1A1
SCHEMBL3407221 0.71 SLC5A2 (0.57) ALDH1A1HPGDMEN1KMT2A
SCHEMBL28443180 0.69 SMN1; SMN2 (0.56) GRM2SLC9A1KDM4EMAPK1ALDH1A1
SCHEMBL8040200 0.69 SLC9A1 (0.48) SLC9A1KCNMA1KDM4EMAPK1ALDH1A1
SCHEMBL12900276 0.69 TDP1 (0.55) TDP1GRM2SLC9A1HPGDHTT
SCHEMBL28450969 0.68 GRM2 (0.54) TDP1GRM2SLC9A1KDM4EALDH1A1
SCHEMBL24854151 0.67 KCNMA1 (0.38) SLC9A1KCNMA1KDM4EMEN1KMT2A
SCHEMBL10085250 0.67 TDP1 (0.56) TDP1GRM2SLC9A1ALDH1A1LMNA
SCHEMBL2149335 0.67 POLB (0.50) TDP1SLC9A1KCNMA1KDM4EMAPK1
SCHEMBL16398499 0.66 GRM2 (0.75) TDP1GRM2SLC9A1KCNMA1KDM4E

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 TDP1 2103/4885GRM2 3818/4885SLC9A1 3380/4885
US-20050032712-A1 Substituted benzimidazole-, benztriazole-, and benzimidazolone-O-glucosides GANAB, GCG, GANC TDP1 2041/4885GRM2 3856/4885SLC9A1 3469/4885
US-20100004188-A1 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES GANAB, GCG, GANC TDP1 2041/4885GRM2 3856/4885SLC9A1 3469/4885
US-20060234954-A1 Substituted benzimidazole-, benztriazole-, and benzimidazolone-O-glucosides GANAB, GCG, B3GAT3 TDP1 2104/4885GRM2 3759/4885SLC9A1 3385/4885

“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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