SCHEMBL95038

SCHEMBL95038

Nc1ccccc1NCc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
APP P05067 2/20 0.49
KDM4E B2RXH2 3/20 0.49
BACE1 P56817 1/20 0.49
HDAC1 Q13547 5/20 0.48
HDAC3 O15379 1/20 0.47
HDAC2 Q92769 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
GAA P10253 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
THRB P10828 1/20 0.44
ALOX12 P18054 1/20 0.44

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
SCHEMBL7164883 0.90 BACE1 (0.56) MAPTL3MBTL1KDM4EBACE1HDAC1
SCHEMBL12263035 0.86 MAPT (0.64) MAPTL3MBTL1APPKDM4EGAA
SCHEMBL132544 0.85 MAPT (0.42) MAPTL3MBTL1APPKDM4EBACE1
SCHEMBL29922357 0.84 BACE1 (0.65) MAPTAPPKDM4EBACE1HDAC1
SCHEMBL396451 0.84 BACE1 (0.65) MAPTAPPKDM4EBACE1HDAC1
SCHEMBL10353242 0.84 ACLY (0.48) MAPTL3MBTL1APPKDM4EBACE1
SCHEMBL95028 0.82 HDAC1 (0.46) MAPTL3MBTL1APPKDM4EHDAC1
SCHEMBL11019341 0.81 MAPT (0.55) MAPTL3MBTL1APPKDM4EBACE1
SCHEMBL9683129 0.81 MAPT (0.47) MAPTL3MBTL1APPKDM4EMEN1
SCHEMBL9134263 0.81 HDAC1 (0.49) MAPTAPPKDM4EBACE1HDAC1

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
US-20200377505-A1 BENZIMIDAZOLES AND AZA-BENZIMIDAZOLES, AND METHODS OF USE THEREOF GFB (ABC), LLC 2020-12-03 US disclosed
CN-105218537-B Berberine benzimidazole compounds or pharmaceutically acceptable salts thereof as well as preparation methods and applications of berberine benzimidazole compounds or pharmaceutically acceptable salts of berberine benzimidazole compounds 西南大学 2017-01-11 CN 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
WO-2010132810-A1 DEUTERIUM MODIFIED BENZIMIDAZOLES CONCERT PHARMACEUTICALS, INC. (US) 2010-11-18 WO disclosed
US-20100284970-A1 BENZIMIDAZOLE MODULATORS OF H1 RECEPTOR AND/OR NS4B PROTEIN AUSPEX PHARMACEUTICALS, INC. (US) 2010-11-11 US disclosed
US-20100284970-A1 BENZIMIDAZOLE MODULATORS OF H1 RECEPTOR AND/OR NS4B PROTEIN AUSPEX PHARMACEUTICALS, INC. (US) 2010-11-11 US disclosed
US-20100284970-A1 BENZIMIDAZOLE MODULATORS OF H1 RECEPTOR AND/OR NS4B PROTEIN AUSPEX PHARMACEUTICALS, INC. (US) 2010-11-11 US disclosed
WO-2010118286-A2 BENZIMIDAZOLE MODULATORS OF H1 RECEPTOR AND/OR NS4B PROTEIN ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2010-10-14 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 2089/4885APP 4350/4885
US-20200377505-A1 BENZIMIDAZOLES AND AZA-BENZIMIDAZOLES, AND METHODS OF USE THEREOF AZI2, ATP6V1B1, GLS MAPT 4542/4885L3MBTL1 4462/4885APP 4883/4885
US-20100284970-A1 BENZIMIDAZOLE MODULATORS OF H1 RECEPTOR AND/OR NS4B PROTEIN HRH4, H1-4, HRH3 MAPT 3023/4885L3MBTL1 3783/4885APP 4127/4885
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NSUN3, RNGTT, NSUN2 MAPT 4638/4885L3MBTL1 183/4885APP 4794/4885
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 MAPT 4569/4885L3MBTL1 389/4885APP 4550/4885

“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.