SCHEMBL4496900

SCHEMBL4496900

CSn1c(-c2ccccn2)nc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.49
▸ HPGD P15428 3/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ CTSD P07339 8/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ GUSB P08236 3/20 0.44
▸ NPC1 O15118 1/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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
Hydrochloric Acid SCHEMBL10563802 0.98 KDM4E (0.48) KDM4EHPGDHSD17B10ALDH1A1HTT
SCHEMBL172248 0.79 CYP19A1 (0.61) KDM4EHPGDHSD17B10ALDH1A1HTT
SCHEMBL28238914 0.77 KDM4E (0.51) KDM4EHPGDHSD17B10ALDH1A1HTT
SCHEMBL171844 0.76 CTSD (0.52) KDM4EHPGDHSD17B10ALDH1A1HTT
SCHEMBL2607440 0.75 ALDH1A1 (0.55) KDM4EHPGDHSD17B10ALDH1A1HTT
SCHEMBL13826029 0.75 KDM4E (0.49) KDM4EHPGDHSD17B10ALDH1A1HTT
SCHEMBL13351524 0.75 ALDH1A1 (0.66) KDM4EHPGDHSD17B10ALDH1A1HTT
SCHEMBL30172357 0.74 ESR2 (0.53) KDM4EHPGDHSD17B10ALDH1A1HTT
SCHEMBL13376084 0.73 HTT (0.56) KDM4EHPGDHSD17B10ALDH1A1HTT
SCHEMBL29470569 0.73 CTSD (0.50) KDM4EHPGDHSD17B10ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1421076-B1 HYDRATES OF OPTIONALLY SUBSTITUTED 2-(2-PYRIDINYL)METHYLTHIO-1H-BENZIMIDAZOLES AND METHOD FOR THE PRODUCTION THEREOF GRUENENTHAL GMBH (DE) 2007-10-10 — — EP claimed
US-7557218-B2 Hydrates of optionally substituted 2-(2-pyridinyl) methylthio-1H-benzimidazoles and process for the production thereof GRUNENTHAL GMBH (DE) 2009-07-07 — — US disclosed
US-7557218-B2 Hydrates of optionally substituted 2-(2-pyridinyl) methylthio-1H-benzimidazoles and process for the production thereof GRUNENTHAL GMBH (DE) 2009-07-07 — — US disclosed
US-20080269497-A1 Hydrates of Optionally Substituted 2-(2-Pyridinyl) Methylthio-1H-Benzimidazoles and Process for the Production Thereof GRUNENTHAL GMBH (DE) 2008-10-30 — — US disclosed
US-20080269497-A1 Hydrates of Optionally Substituted 2-(2-Pyridinyl) Methylthio-1H-Benzimidazoles and Process for the Production Thereof GRUNENTHAL GMBH (DE) 2008-10-30 — — US disclosed
US-7435825-B2 Hydrates of optionally substituted 2-(2-pyridinyl) methylthio-1H-benzimidazoles and process for the production thereof GRUNENTHAL GMBH (DE) 2008-10-14 — — US disclosed
US-7435825-B2 Hydrates of optionally substituted 2-(2-pyridinyl) methylthio-1H-benzimidazoles and process for the production thereof GRUNENTHAL GMBH (DE) 2008-10-14 — — US disclosed
US-20040158072-A1 Hydrates of optionally substituted 2-(2-pyridinyl) methylthio-1H-benzimidazoles and process for the production thereof GRUNENTHAL GMBH (DE) 2004-08-12 — — US disclosed
US-20040158072-A1 Hydrates of optionally substituted 2-(2-pyridinyl) methylthio-1H-benzimidazoles and process for the production thereof GRUNENTHAL GMBH (DE) 2004-08-12 — — 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 (2 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-20040158072-A1 Hydrates of optionally substituted 2-(2-pyridinyl) methylthio-1H-benzimidazoles and process for the production thereof BHMT2, H1-4, TBCB KDM4E 1284/4885HPGD 417/4885HSD17B10 1929/4885
US-20080269497-A1 Hydrates of Optionally Substituted 2-(2-Pyridinyl) Methylthio-1H-Benzimidazoles and Process for the Production Thereof PIR, TBCB, AZI2 KDM4E 1095/4885HPGD 726/4885HSD17B10 2650/4885

“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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