SCHEMBL3288703

SCHEMBL3288703

O=[N+]([O-])c1cc(F)ccc1NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.78
MAPT P10636 3/20 0.78
PKM P14618 1/20 0.78
RAB9A P51151 1/20 0.78
NPSR1 Q6W5P4 1/20 0.76
ALDH1A1 P00352 2/20 0.66
HTT P42858 1/20 0.66
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
LMNA P02545 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
KDM4E B2RXH2 1/20 0.58
GAA P10253 1/20 0.58
SIGMAR1 Q99720 5/20 0.53
POLB P06746 2/20 0.53
ACHE P22303 4/20 0.53
FAAH O00519 1/20 0.53
SLC6A12 P48065 1/20 0.53
TMEM97 Q5BJF2 1/20 0.53

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
SCHEMBL6161561 0.88 MAPK1 (0.80) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL6585695 0.87 MAPK1 (0.78) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL6159635 0.86 MAPK1 (1.00) MAPK1MAPTPKMRAB9ANPSR1
Hydrochloric Acid SCHEMBL11102389 0.85 MAPK1 (0.97) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL3604839 0.84 MAPK1 (0.74) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL7240975 0.83 MAPK1 (0.54) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL7240972 0.83 MAPK1 (0.54) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL2090303 0.82 MAPK1 (0.78) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL2978252 0.81 SIGMAR1 (0.63) L3MBTL1SIGMAR1POLBSLC6A12TMEM97
SCHEMBL8884292 0.81 MAPK1 (0.77) MAPK1MAPTPKMRAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723360-B2 Alkyl-and piperidine-substituted benzimidazole derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-25 US disclosed
US-7723360-B2 Alkyl-and piperidine-substituted benzimidazole derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-25 US disclosed
US-7723360-B2 Alkyl-and piperidine-substituted benzimidazole derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-25 US disclosed
EP-1776356-B1 ALKYL-AND PIPERIDINE-SUBSTITUTED BENZIMIDAZOLE-DERIVATES BOEHRINGER INGELHEIM INT (DE) 2008-09-17 EP disclosed
EP-1776356-B1 ALKYL-AND PIPERIDINE-SUBSTITUTED BENZIMIDAZOLE-DERIVATES BOEHRINGER INGELHEIM INT (DE) 2008-09-17 EP disclosed
EP-1776356-A1 ALKYL-AND PIPERIDINE-SUBSTITUTED BENZIMIDAZOLE-DERIVATES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-25 EP disclosed
US-7157471-B2 Haloalkyl- and piperidine-substituted benzimidazole-derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-02 US disclosed
US-7157471-B2 Haloalkyl- and piperidine-substituted benzimidazole-derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-02 US disclosed
US-7157471-B2 Haloalkyl- and piperidine-substituted benzimidazole-derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-02 US disclosed
EP-1660476-B1 HALOALKYL- AND PIPERIDINE-SUBSTITUTED BENZIMIDAZOLE-DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2006-12-27 EP disclosed
EP-0898568-B1 1-(4-PIPERIDYL)-BENZIMIDAZOLES HAVING NEUROTROPHIC ACTIVITY NEUROSEARCH AS (DK) 2006-10-04 EP disclosed
EP-1660476-A1 HALOALKYL- AND PIPERIDINE-SUBSTITUTED BENZIMIDAZOLE-DERIVATIVES Boehringer Ingelheim International GmbH (DE) 2006-05-31 EP disclosed
WO-2006013073-A1 ALKYL-AND PIPERIDINE-SUBSTITUTED BENZIMIDAZOLE-DERIVATES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-09 WO disclosed
US-20060030590-A1 Alkyl-and piperidine-substituted benzimidazole derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-09 US disclosed
US-20050124659-A1 Haloalkyl- and piperidine-substituted benzimidazole-derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-06-09 US disclosed
WO-2005019203-A1 HALOALKYL- AND PIPERIDINE-SUBSTITUTED BENZIMIDAZOLE-DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-03-03 WO disclosed
US-6180649-B1 NERVOUS SYSTEM DISORDERS; ALZHEIMER'S, HUNTINGTON, PARKINSON DISEASE NEROSEARCH A/S (DK) 2001-01-30 US disclosed
EP-0898568-A1 1-(4-PIPERIDYL)-BENZIMIDAZOLES HAVING NEUROTROPHIC ACTIVITY NEUROSEARCH A/S (DK) 1999-03-03 EP disclosed
WO-1997040035-A1 1-(4-PIPERIDYL)-BENZIMIDAZOLES HAVING NEUROTROPHIC ACTIVITY NEUROSEARCH A/S (DK) 1997-10-30 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 (2 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-20050124659-A1 Haloalkyl- and piperidine-substituted benzimidazole-derivatives ABCB11, KCNJ11, CFTR MAPK1 3680/4885MAPT 3911/4885PKM 374/4885
US-20060030590-A1 Alkyl-and piperidine-substituted benzimidazole derivatives ABCB11, KCNJ11, ABCB1 MAPK1 2465/4885MAPT 3369/4885PKM 276/4885

“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.