SCHEMBL3424751

SCHEMBL3424751

Cc1cc(OCCCCl)ccc1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDIA6 Q15084 1/20 0.44
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
S1PR1 P21453 1/20 0.40
MAOB P27338 2/20 0.40
ALDH1A1 P00352 3/20 0.39
CARM1 Q86X55 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TRIM24 O15164 1/20 0.38
TYR P14679 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
MCL1 Q07820 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
SCHEMBL10262147 0.88 PDIA6 (0.45) PDIA6DRD2DRD4DRD3GAA
SCHEMBL15564502 0.85 PDIA6 (0.43) PDIA6DRD2DRD4DRD3TP53
SCHEMBL6022241 0.85 THRA (0.48) PDIA6TP53TSHR
SCHEMBL3428373 0.85 PDIA6 (0.43) PDIA6DRD2DRD4DRD3TP53
SCHEMBL3725442 0.85 ERN1 (0.48) PDIA6ALDH1A1MAPTLMNAHPGD
SCHEMBL11480200 0.83 KDM4E (0.44) PDIA6S1PR1MAOBALDH1A1HPGD
SCHEMBL1626220 0.81 TDP1 (0.48) DRD2DRD4DRD3S1PR1ALDH1A1
SCHEMBL3721962 0.81 ALDH1A1 (0.47) TP53GAAALDH1A1SMN1; SMN2MAPT
SCHEMBL3172535 0.80 L3MBTL1 (0.57) S1PR1LMNAPPARGPPARDMCL1
SCHEMBL22322049 0.79 ALDH1A1 (0.41) PDIA6DRD2DRD4DRD3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723359-B2 Benzoimidazole compounds JANSSEN PHARMACEUTICA NV (BE) 2010-05-25 US disclosed
US-7723526-B2 Benzoimidazole compounds JANSSEN PHARMACEUTICA NV (BE) 2010-05-25 US disclosed
US-7723527-B2 Benzoimidazole compounds JANSSEN PHARMACEUTICA NV (BE) 2010-05-25 US disclosed
US-7705149-B2 Benzoimidazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-27 US disclosed
US-7705143-B2 5-Fluoro-4-methyl-2-{2-[4-(4-methyl-[1,4]diazepan-1-yl)-butoxy]-pyridin-4-yl}-1H-benzoimidazole; use in leukocyte recruitment inhibition, in modulating H4 receptor, and in treating conditions such as inflammation, H4 receptor-mediated conditions JANSSEN PHARMACEUTICA N.V. (BG) 2010-04-27 US disclosed
US-7662966-B2 For example, 5-tert-Butyl-2-{2-[4-(1-methyl-piperidin-4-yl)-butoxy]-pyridin-4-yl}-1H-benzoimidazole; use in leukocyte recruitment inhibition, in modulating H4 receptor, and in treating conditions such as inflammation, H4 receptor-mediated conditions, and related conditions JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-16 US disclosed
US-20090281307-A1 Benzoimidazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-11-12 US disclosed
US-20090275748-A1 Benzoimidazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-11-05 US disclosed
US-20090270613-A1 Benzoimidazole compounds EDWARDS JAMES P 2009-10-29 US disclosed
US-20090270611-A1 Benzoimidazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-29 US disclosed
US-20090270366-A1 Benzoimidazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-29 US disclosed
US-20090264645-A1 Benzoimidazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-22 US disclosed
US-20090264646-A1 Benzoimidazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-22 US disclosed
US-20090264647-A1 5-Fluoro-4-methyl-2-{2-[4-(4-methyl-piperazin-1-yl)-butoxy]-pyridin-4-yl}-1H-benzoimidazole; leukocyte recruitment inhibition, modulating H4 receptor, and treating conditions such as inflammation JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-22 US disclosed
US-20090247508-A1 Benzoimidazole Compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-01 US disclosed
EP-1673348-B1 BENZOIMIDAZOLE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP disclosed
US-7432378-B2 Benzoimidazole compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2008-10-07 US disclosed
EP-1673348-A2 BENZOIMIDAZOLE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-28 EP disclosed
WO-2005044807-A2 BENZOIMIDAZOLE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-19 WO disclosed
US-20050070550-A1 Benzoimidazole compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-31 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 (10 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-20090270613-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 PDIA6 4754/4885DRD2 1842/4885DRD4 1597/4885
US-20090264646-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 PDIA6 4754/4885DRD2 1842/4885DRD4 1597/4885
US-20050070550-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 PDIA6 4754/4885DRD2 1842/4885DRD4 1597/4885
US-20090270366-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 PDIA6 4754/4885DRD2 1842/4885DRD4 1597/4885
US-20090270611-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 PDIA6 4754/4885DRD2 1842/4885DRD4 1597/4885
US-20090275748-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 PDIA6 4754/4885DRD2 1842/4885DRD4 1597/4885
US-20090264647-A1 5-Fluoro-4-methyl-2-{2-[4-(4-methyl-piperazin-1-yl)-butoxy]-pyridin-4-yl}-1H-benzoimidazole; leukocyte recruitment inhibition, modulating H4 receptor, and treating conditions such as inflammation HRH4, HRH3, BRD4 PDIA6 4783/4885DRD2 1434/4885DRD4 1170/4885
US-20090247508-A1 Benzoimidazole Compounds HRH4, HRH3, BRD4 PDIA6 4754/4885DRD2 1842/4885DRD4 1597/4885
US-20090264645-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 PDIA6 4754/4885DRD2 1842/4885DRD4 1597/4885
US-20090281307-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 PDIA6 4754/4885DRD2 1842/4885DRD4 1597/4885

“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.