SCHEMBL3424699

SCHEMBL3424699

Cc1cc(C=O)ccc1OCCCN1CCN(C)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RAD52 P43351 1/20 0.50
HTR1A P08908 2/20 0.49
HTR2A P28223 2/20 0.49
DRD2 P14416 1/20 0.49
HTR7 P34969 1/20 0.49
ADRA1A P35348 1/20 0.49
RECQL P46063 1/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
HRH3 Q9Y5N1 3/20 0.46
APP P05067 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DRD3 P35462 1/20 0.45

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
SCHEMBL29038431 0.86 FDPS (0.57) ALDH1A1KDM4EMEN1KMT2ARAD52
SCHEMBL29038419 0.86 FDPS (0.65) ALDH1A1KDM4ECYP2C19CYP1A2SMN1; SMN2
SCHEMBL30462841 0.86 FDPS (0.65) ALDH1A1KDM4ECYP2C19CYP1A2SMN1; SMN2
SCHEMBL3428960 0.86 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1KMT2ARAD52
SCHEMBL3422205 0.82 HRH4 (0.50) ALDH1A1KDM4EMEN1KMT2ARAD52
SCHEMBL5692621 0.82 POLB (0.56) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL3428038 0.81 HPGD (0.51) ALDH1A1KDM4ERECQLCYP2D6CYP2C19
SCHEMBL14320610 0.80 KDM4E (0.52) ALDH1A1KDM4EMEN1KMT2AHTR1A
SCHEMBL4731940 0.79 RAB9A (0.61) ALDH1A1HRH3APPSMN1; SMN2DRD3
SCHEMBL28618325 0.79 FDPS (0.67) ALDH1A1KDM4ECYP2D6CYP2C19CYP1A2

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-7723526-B2 Benzoimidazole compounds JANSSEN PHARMACEUTICA NV (BE) 2010-05-25 US disclosed
US-7723359-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-20090270366-A1 Benzoimidazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-29 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-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-20090264646-A1 Benzoimidazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-22 US disclosed
US-20090264645-A1 Benzoimidazole compounds 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 ALDH1A1 3379/4885KDM4E 1377/4885MEN1 4825/4885
US-20090264646-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 ALDH1A1 3379/4885KDM4E 1377/4885MEN1 4825/4885
US-20050070550-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 ALDH1A1 3379/4885KDM4E 1377/4885MEN1 4825/4885
US-20090270366-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 ALDH1A1 3379/4885KDM4E 1377/4885MEN1 4825/4885
US-20090270611-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 ALDH1A1 3379/4885KDM4E 1377/4885MEN1 4825/4885
US-20090275748-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 ALDH1A1 3379/4885KDM4E 1377/4885MEN1 4825/4885
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 ALDH1A1 2810/4885KDM4E 826/4885MEN1 4841/4885
US-20090247508-A1 Benzoimidazole Compounds HRH4, HRH3, BRD4 ALDH1A1 3379/4885KDM4E 1377/4885MEN1 4825/4885
US-20090264645-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 ALDH1A1 3379/4885KDM4E 1377/4885MEN1 4825/4885
US-20090281307-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 ALDH1A1 3379/4885KDM4E 1377/4885MEN1 4825/4885

“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.