SCHEMBL3422672

SCHEMBL3422672

CN1CCCN(CCCCOc2cc(C=O)ccn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAD52 P43351 1/20 0.46
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
SIGMAR1 Q99720 3/20 0.42
RAB9A P51151 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39

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
SCHEMBL3425057 0.79 HRH3 (0.50) ALDH1A1USP2HPGDSIGMAR1RAB9A
SCHEMBL1627975 0.78 HRH4 (0.43)
SCHEMBL3422205 0.74 HRH4 (0.50) ALDH1A1MEN1KMT2ARAD52HPGD
SCHEMBL3427377 0.74 HRH3 (0.54) ALDH1A1MEN1KMT2ARAD52USP2
SCHEMBL1628166 0.74 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ARAD52USP2
SCHEMBL3427881 0.73 USP2 (0.49) ALDH1A1MEN1KMT2AUSP2HPGD
SCHEMBL7956588 0.70 DRD3 (0.59) ALDH1A1MEN1KMT2ARAD52USP2
SCHEMBL3424699 0.69 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ARAD52HRH3
Hydrochloric Acid SCHEMBL2427264 0.69 DRD3 (0.58) ALDH1A1MEN1KMT2ARAD52SIGMAR1
SCHEMBL4731940 0.69 RAB9A (0.61) ALDH1A1USP2HPGDRAB9AHRH3

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-20090270366-A1 Benzoimidazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-29 US disclosed
US-20090270611-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-20090264645-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-20090264646-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 3379/4885MEN1 4825/4885KMT2A 1228/4885
US-20090264646-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 ALDH1A1 3379/4885MEN1 4825/4885KMT2A 1228/4885
US-20050070550-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 ALDH1A1 3379/4885MEN1 4825/4885KMT2A 1228/4885
US-20090270366-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 ALDH1A1 3379/4885MEN1 4825/4885KMT2A 1228/4885
US-20090270611-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 ALDH1A1 3379/4885MEN1 4825/4885KMT2A 1228/4885
US-20090275748-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 ALDH1A1 3379/4885MEN1 4825/4885KMT2A 1228/4885
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 2810/4885MEN1 4841/4885KMT2A 892/4885
US-20090247508-A1 Benzoimidazole Compounds HRH4, HRH3, BRD4 ALDH1A1 3379/4885MEN1 4825/4885KMT2A 1228/4885
US-20090264645-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 ALDH1A1 3379/4885MEN1 4825/4885KMT2A 1228/4885
US-20090281307-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 ALDH1A1 3379/4885MEN1 4825/4885KMT2A 1228/4885

“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.