SCHEMBL5267033

SCHEMBL5267033

CCOC(=O)CCCSc1nc2cc(C)c(C)cc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.54
HPGD P15428 4/20 0.54
MAPK1 P28482 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2E1 P05181 1/20 0.51
CYP2C8 P10632 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2B6 P20813 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 8/20 0.51
ALDH1A1 P00352 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TSHR P16473 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL5268884 0.88 HPGD (0.52) HPGDMAPK1CYP1A2CYP2E1CYP2C8
SCHEMBL5266012 0.83 NPSR1 (0.69) MAPK1MAPTALDH1A1NPSR1NPC1
SCHEMBL5391948 0.83 CYP1A2 (0.76) MAPK1CYP1A2CYP2E1CYP2C8CYP2D6
SCHEMBL5391945 0.83 CYP1A2 (0.63) HPGDMAPK1CYP1A2CYP2E1CYP2C8
SCHEMBL5107776 0.81 MAPK1 (0.55) HPGDMAPK1CYP1A2CYP2E1CYP2C8
SCHEMBL5107772 0.81 MAPT (0.54) HPGDMAPK1CYP1A2CYP2E1CYP2C8
SCHEMBL9431194 0.80 MAPT (0.67) MAPK1MAPTALDH1A1NPSR1NPC1
SCHEMBL7867868 0.79 MAPT (0.66) MAPTALDH1A1NPSR1NPC1RAB9A
SCHEMBL7864977 0.79 MAPT (0.66) MAPTALDH1A1NPSR1NPC1RAB9A
SCHEMBL7857190 0.79 MAPT (0.66) MAPTALDH1A1NPSR1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1249450-B1 BENZIMIDAZOLE DERIVATIVES AS HUMAN CHYMASE INHIBITORS TEIJIN PHARMA LTD (JP) 2007-10-10 EP disclosed
EP-1249450-B1 BENZIMIDAZOLE DERIVATIVES AS HUMAN CHYMASE INHIBITORS TEIJIN PHARMA LTD (JP) 2007-10-10 EP disclosed
US-7176320-B2 Benzimidazole derivative TEIJIN LIMITED (JP) 2007-02-13 US disclosed
US-7176320-B2 Benzimidazole derivative TEIJIN LIMITED (JP) 2007-02-13 US disclosed
US-7176320-B2 Benzimidazole derivative TEIJIN LIMITED (JP) 2007-02-13 US disclosed
US-20050267148-A1 Benzimidazole derivative TEIJIN LIMITED 2005-12-01 US disclosed
US-20040162311-A1 Benzimidazole derivative TEIJIN LIMITED 2004-08-19 US disclosed
US-20040010004-A1 Benzimidazole derivatives TEIJIN LIMITED (JP) 2004-01-15 US disclosed
US-20030083315-A1 Human chymase inhibitors TEIJIN LIMITED (JP) 2003-05-01 US disclosed
EP-1249450-A1 BENZIMIDAZOLE DERIVATIVES TEIJIN LIMITED (JP) 2002-10-16 EP disclosed
EP-1167360-A9 HUMAN CHYMASE INHIBITORS TEIJIN LIMITED (JP) 2002-05-15 EP disclosed
EP-1167360-A1 HUMAN CHYMASE INHIBITORS TEIJIN LIMITED (JP) 2002-01-02 EP 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-20040162311-A1 Benzimidazole derivative CMA1, CBR3, CBR1 HRH4 4/4885HPGD 2370/4885MAPK1 1202/4885
US-20030083315-A1 Human chymase inhibitors CMA1, CTRL, CPA4 HRH4 260/4885HPGD 1220/4885MAPK1 1817/4885
US-20040010004-A1 Benzimidazole derivatives CMA1, CBR3, CBR1 HRH4 4/4885HPGD 2482/4885MAPK1 1049/4885
US-20050267148-A1 Benzimidazole derivative CMA1, SERPINB1, TPSAB1 HRH4 352/4885HPGD 1568/4885MAPK1 2028/4885

“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.