SCHEMBL3408540

SCHEMBL3408540

CCc1ccc(Cn2nnc3cccc(OC)c32)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.44
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ PTK2 Q05397 2/20 0.42
▸ GRM2 Q14416 3/20 0.41
▸ SLC9A1 P19634 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ SLC5A2 P31639 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPK10 P53779 1/20 0.38

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
SCHEMBL3413666 0.80 TDP1 (0.47) TDP1GRM2SLC9A1ALDH1A1HPGD
SCHEMBL23864113 0.73 GPR139 (0.45) TSHRNPC1RAB9APTK2ALDH1A1
SCHEMBL3411505 0.72 SLC5A2 (0.49) SLC5A2
SCHEMBL1271587 0.71 TDP1 (0.50) TDP1FGFR1SMN1; SMN2MAPK10
SCHEMBL38666254 0.71 KEAP1 (0.46) NPC1RAB9ASLC9A1ALDH1A1HSD17B10
SCHEMBL23361234 0.70 NPC1 (0.43) NPC1RAB9APTK2GRM2SLC9A1
SCHEMBL10085250 0.65 TDP1 (0.56) TSHRTDP1NPC1RAB9AGRM2
SCHEMBL3800690 0.64 HSD17B10 (0.56) TSHRPOLBTDP1NPC1RAB9A
SCHEMBL7597659 0.64 GRM2 (0.75) TDP1PTK2GRM2SLC9A1KDM4E
SCHEMBL12900276 0.64 TDP1 (0.55) TDP1NPC1RAB9AGRM2SLC9A1

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 7 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
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
US-20050032712-A1 Substituted benzimidazole-, benztriazole-, and benzimidazolone-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 — — 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 (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 TSHR 3548/4885POLB 1717/4885TDP1 2103/4885
US-20050032712-A1 Substituted benzimidazole-, benztriazole-, and benzimidazolone-O-glucosides GANAB, GCG, GANC TSHR 3532/4885POLB 1846/4885TDP1 2041/4885
US-20100004188-A1 SUBSTITUTED BENZIMIDAZOLE-, BENZTRIAZOLE-, AND BENZIMIDAZOLONE-O-GLUCOSIDES GANAB, GCG, GANC TSHR 3532/4885POLB 1846/4885TDP1 2041/4885
US-20060234954-A1 Substituted benzimidazole-, benztriazole-, and benzimidazolone-O-glucosides GANAB, GCG, B3GAT3 TSHR 3518/4885POLB 1789/4885TDP1 2104/4885

“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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