SCHEMBL7496001

SCHEMBL7496001

COC(=O)c1cc(OC)c(OC)c(OC)c1Cl

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.65
POLB P06746 2/20 0.65
USP2 O75604 1/20 0.59
HSD17B10 Q99714 1/20 0.59
HPGD P15428 3/20 0.50
GAA P10253 2/20 0.50
ALDH1A1 P00352 3/20 0.45
THRB P10828 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
PKM P14618 1/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSP90AA1 P07900 1/20 0.42
PTPN1 P18031 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
SCHEMBL383325 0.84 PKM (0.57) KDM4EPOLBUSP2HSD17B10HPGD
SCHEMBL11517526 0.84 KDM4E (0.49) KDM4EPOLBUSP2HSD17B10HPGD
SCHEMBL9576652 0.84 KDM4E (0.67) KDM4EPOLBUSP2HSD17B10HPGD
SCHEMBL29597671 0.84 PKM (0.57) KDM4EPOLBUSP2HSD17B10HPGD
SCHEMBL11929030 0.81 KDM4E (0.69) KDM4EPOLBUSP2HSD17B10HPGD
SCHEMBL30251221 0.80 KDM4E (0.67) KDM4EPOLBUSP2HSD17B10HPGD
SCHEMBL12135968 0.80 KDM4E (0.67) KDM4EPOLBUSP2HSD17B10HPGD
SCHEMBL6380257 0.79 KDM4E (0.65) KDM4EPOLBUSP2HSD17B10HPGD
SCHEMBL4734795 0.79 KDM4E (1.00) KDM4EPOLBUSP2HSD17B10HPGD
SCHEMBL21635979 0.79 KDM4E (0.65) KDM4EPOLBUSP2HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874843-B1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPANES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2002-08-07 EP disclosed
US-6423704-B2 CROHN'S DISEAS, ANTIULCER AGENTS, ASTHMA, EMESIS AVENTIS PHARMACEUTICALS INC. 2002-07-23 US disclosed
US-20010034343-A1 Novel substituted 4-(1H-benzimidazol-2-yl) [1,4]diazepanes useful for the treatment of allergic diseases AVENTIS PHARMACEUTICALS INC. 2001-10-25 US disclosed
US-6194406-B1 HISTAMINE RECEPTOR ANTAGONISTS; TACHYKININ RECEPTOR ANTAGONISTS; ASTHMA; BRONCHITIS; INFLAMMATORY BOWEL DISEASES, INCLUDING CROHN'S DISEASE AND ULCERATIVE COLITIS; SEASONAL RHINITIS; SINUSITIS; ANTIALLERGENS; EMETIC AGENTS AVENTIS PHARMACEUTICALS INC. 2001-02-27 US disclosed
EP-0874843-A1 NOVEL SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPANES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1998-11-04 EP disclosed
WO-1997022604-A1 NOVEL SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL)[1,4]DIAZEPANES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-06-26 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 (1 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-20010034343-A1 Novel substituted 4-(1H-benzimidazol-2-yl) [1,4]diazepanes useful for the treatment of allergic diseases HRH4, HRH2, HRH1 KDM4E 1512/4885POLB 4594/4885USP2 1909/4885

“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.