SCHEMBL95561

SCHEMBL95561

O=[N+]([O-])c1ccccc1NCc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 1.00
L3MBTL1 Q9Y468 3/20 1.00
MAPK1 P28482 1/20 0.64
IDO1 P14902 1/20 0.63
TDP1 Q9NUW8 1/20 0.62
LMNA P02545 3/20 0.59
ALDH1A1 P00352 2/20 0.59
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
PHGDH O43175 1/20 0.55
HTR6 P50406 2/20 0.54
KAT2B Q92831 2/20 0.51
POLB P06746 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50

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
SCHEMBL7164868 0.92 MAPT (0.84) MAPTL3MBTL1MAPK1IDO1TDP1
SCHEMBL132598 0.87 MAPT (0.77) MAPTL3MBTL1MAPK1IDO1TDP1
SCHEMBL102602 0.87 MAPT (0.77) MAPTL3MBTL1MAPK1TDP1LMNA
SCHEMBL10353552 0.86 MAPT (0.76) MAPTL3MBTL1MAPK1IDO1TDP1
SCHEMBL95687 0.85 MAPT (0.74) MAPTL3MBTL1MAPK1IDO1TDP1
SCHEMBL13783550 0.84 MAPT (0.73) MAPTL3MBTL1MAPK1TDP1LMNA
SCHEMBL10360050 0.84 MAPT (0.73) MAPTL3MBTL1MAPK1TDP1LMNA
SCHEMBL9683242 0.84 MAPT (0.84) MAPTL3MBTL1TDP1LMNAALDH1A1
SCHEMBL9138464 0.84 MAPT (0.73) MAPTL3MBTL1MAPK1TDP1LMNA
SCHEMBL31325569 0.84 MAPT (0.73) MAPTL3MBTL1MAPK1TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111704579-B Benzimidazole compound synthesis method based on iron-catalyzed redox coupling reaction 中国农业大学 2021-12-14 CN disclosed
CN-111704579-A Benzimidazole compound synthesis method based on iron-catalyzed redox coupling reaction 中国农业大学 2020-09-25 CN disclosed
WO-2019028308-A1 BENZIMIDAZOLES AND AZA-BENZIMIDAZOLES, AND METHODS OF USE THEREOF GOLDFINCH BIO, INC. (US) 2019-02-07 WO disclosed
US-8975247-B2 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNION UNIVERSITY (US) 2015-03-10 US disclosed
US-8975247-B2 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNION UNIVERSITY (US) 2015-03-10 US disclosed
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
US-20120058085-A1 Deuterium Modified Benzimidazoles CONCERT PHARMACEUTICALS, INC. 2012-03-08 US disclosed
US-20120058085-A1 Deuterium Modified Benzimidazoles CONCERT PHARMACEUTICALS, INC. 2012-03-08 US disclosed
US-20120058085-A1 Deuterium Modified Benzimidazoles CONCERT PHARMACEUTICALS, INC. 2012-03-08 US disclosed
WO-2010132810-A1 DEUTERIUM MODIFIED BENZIMIDAZOLES CONCERT PHARMACEUTICALS, INC. (US) 2010-11-18 WO disclosed
WO-2010107739-A2 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-09-23 WO disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 US disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 US disclosed
US-20070212267-A1 Method and apparatus for performing micro-scale chemical reactions TOTAL SYNTHESIS LTD. (CA) 2007-09-13 US disclosed
US-20070212267-A1 Method and apparatus for performing micro-scale chemical reactions TOTAL SYNTHESIS LTD. (CA) 2007-09-13 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 (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-20120058085-A1 Deuterium Modified Benzimidazoles POLRMT, EIF2AK2, DUT MAPT 4232/4885L3MBTL1 2089/4885MAPK1 2041/4885
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NSUN3, RNGTT, NSUN2 MAPT 4638/4885L3MBTL1 183/4885MAPK1 4422/4885
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 MAPT 4569/4885L3MBTL1 389/4885MAPK1 4363/4885

“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.