SCHEMBL2013684

SCHEMBL2013684

CCNc1cc(OC)ccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
DCTPP1 Q9H773 1/20 0.57
MAPT P10636 8/20 0.55
LMNA P02545 3/20 0.55
AKR1B10 O60218 1/20 0.53
AKR1B1 P15121 1/20 0.53
AKR1C4 P17516 1/20 0.53
AKR1C3 P42330 1/20 0.53
AKR1C2 P52895 1/20 0.53
AKR1C1 Q04828 1/20 0.53
MAPK1 P28482 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TDP1 Q9NUW8 2/20 0.52
ALPG P10696 1/20 0.52
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HCAR3 P49019 1/20 0.48
HTR6 P50406 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL762553 0.87 SMN1; SMN2 (0.60) SMN1; SMN2MAPTLMNAAKR1B10AKR1B1
SCHEMBL111539 0.84 KAT2B (0.59) SMN1; SMN2MAPTLMNAAKR1B10AKR1B1
SCHEMBL4309629 0.84 MAPT (0.62) SMN1; SMN2MAPTLMNAAKR1B10AKR1B1
SCHEMBL10576590 0.84 LMNA (0.68) SMN1; SMN2MAPTLMNAAKR1B10AKR1B1
SCHEMBL10580319 0.84 MAPT (0.58) SMN1; SMN2MAPTLMNAAKR1B10AKR1B1
SCHEMBL29392855 0.84 KAT2B (0.59) SMN1; SMN2MAPTLMNAAKR1B10AKR1B1
SCHEMBL29624957 0.82 MAPT (0.50) SMN1; SMN2DCTPP1MAPTLMNAMAPK1
SCHEMBL20209060 0.82 MAPT (0.50) SMN1; SMN2DCTPP1MAPTLMNAMAPK1
SCHEMBL6400130 0.82 MAPT (0.50) SMN1; SMN2DCTPP1MAPTLMNAAKR1B10
Hydrochloric Acid SCHEMBL141377 0.82 KAT2B (0.61) SMN1; SMN2MAPTLMNAAKR1B10AKR1B1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981954-B2 2-(pyrazin-2-ylcarbonylaminomethyl) benzimidazolium compounds as epithelial sodium channel inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-05-29 US disclosed
US-20180002314-A1 2-(PYRAZIN-2-YLCARBONYLAMINOMETHYL) BENZIMIDAZOLIUM COMPOUNDS AS EPITHELIAL SODIUM CHANNEL INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-01-04 US disclosed
EP-3022197-B1 NOVEL TETRA- AND PENTASUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2017-09-06 EP disclosed
WO-2017109182-A1 COMPOSITION COMPRISING AT LEAST TWO DIFFERENT STARCHES AND A COLOURING AGENT L'OREAL (FR) 2017-06-29 WO disclosed
US-9439844-B2 Tri-aromatic azomethine direct dyes comprising at least one unit derived from resorcinol, dyeing composition, method and use L'OREAL (FR) 2016-09-13 US disclosed
US-9328131-B2 Benzimidazolium compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-03 US disclosed
US-9233057-B2 Particular quinone direct dyes, dye composition comprising at least one such dye, implementation process therefor and use thereof L'OREAL (FR) 2016-01-12 US disclosed
US-9126985-B2 Tetra- and pentasubstituted benzimidazolium compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-08 US disclosed
US-9073954-B2 5-substituted benzimidazolium compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
WO-2015063125-A1 EXPANDED DYEING COMPOSITION COMPRISING AN INERT GAS, A NON-VOLATILE ALKALINE AGENT AND A DYE L'OREAL (FR) 2015-05-07 WO disclosed
US-20140360523-A1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF L'OREAL (FR) 2014-12-11 US disclosed
EP-2791106-A1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF L'OREAL (FR) 2014-10-22 EP disclosed
WO-2014131872-A2 COSMETIC COMPOSITION IN THE FORM OF AN OIL-IN-WATER NANOEMULSION FOR THE DIRECT DYEING OF KERATIN FIBRES L'OREAL (FR) 2014-09-04 WO disclosed
WO-2014102324-A1 DYEING METHOD EMPLOYING A DYE AND A CHAOTROPIC SALT L'OREAL (FR) 2014-07-03 WO disclosed
WO-2013087770-A1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF L'OREAL (FR) 2013-06-20 WO disclosed
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed
US-20050153978-A1 Medicaments GLAXO GROUP LIMITED (GB) 2005-07-14 US disclosed
EP-1487441-A2 BENZIMIDAZOLES AND THEIR USE AS MITOGEN-ACTIVATED- AND RHO-KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
WO-2003080125-A2 BENZIMIDAZOLES AND THEIR USE AS MITOGEN-ACTIVATED- AND RHO-KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-10-02 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 (3 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-20180002314-A1 2-(PYRAZIN-2-YLCARBONYLAMINOMETHYL) BENZIMIDAZOLIUM COMPOUNDS AS EPITHELIAL SODIUM CHANNEL INHIBITORS SCNN1A, TRPV1, SCNN1B SMN1; SMN2 2748/4885DCTPP1 3439/4885MAPT 708/4885
US-20050153978-A1 Medicaments GRK1, ROCK1, GRK7 SMN1; SMN2 1495/4885DCTPP1 3237/4885MAPT 3107/4885
US-20140360523-A1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF KRT18, SQOR, NDUFB7 SMN1; SMN2 4815/4885DCTPP1 1653/4885MAPT 255/4885

“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.