SCHEMBL4638675

SCHEMBL4638675

Cc1c([N+](=O)[O-])cc(C(=O)O)c2nc[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ DTYMK P23919 1/20 0.39
▸ CASP6 P55212 2/20 0.36
▸ DNA2 P51530 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ CCR6 P51684 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ IP6K1 Q92551 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ APEX1 P27695 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL14035181 0.89 TSHR (0.43) TSHRMEN1KMT2AL3MBTL1POLB
SCHEMBL15684676 0.89 MEN1 (0.43) TSHRMEN1KMT2AL3MBTL1POLB
SCHEMBL4638920 0.88 KMT2A (0.42) TSHRMEN1KMT2AL3MBTL1POLB
SCHEMBL6142542 0.81 MEN1 (0.51) TSHRMEN1KMT2ACCR6MAPT
SCHEMBL14035182 0.80 MEN1 (0.42) TSHRMEN1KMT2ACCR6MAPT
SCHEMBL6950405 0.78 MEN1 (0.46) MEN1KMT2AL3MBTL1POLBCASP6
SCHEMBL4640230 0.77 KDM4E (0.45) MEN1KMT2ACASP6IP6K1TDP1
SCHEMBL4638722 0.75 RXFP1 (0.44) MEN1KMT2AL3MBTL1POLBCCR6
SCHEMBL6142538 0.75 MEN1 (0.51) TSHRMEN1KMT2ACCR6MAPT
SCHEMBL7469039 0.72 CYP3A4 (0.50) MEN1KMT2APOLBDTYMKMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953146-B1 METHODS OF MAKING 6-[(4,5-DIHYDRO-1H-IMIDAZOL-2-YL) AMINO-]-7-METHYL-1H-BENZIMIDAZOLE-4-CARBONITRILE AND ITS PREFERRED SALT FORM UNIV NEBRASKA (US) 2014-04-30 — — EP disclosed
EP-1953146-B1 METHODS OF MAKING 6-[(4,5-DIHYDRO-1H-IMIDAZOL-2-YL) AMINO-]-7-METHYL-1H-BENZIMIDAZOLE-4-CARBONITRILE AND ITS PREFERRED SALT FORM UNIV NEBRASKA (US) 2014-04-30 — — EP disclosed
EP-1594862-B1 METHODS OF MAKING 6-[ (4,5-DIHYDRO-1H-IMIDAZOL-2-YL)AMINO-] -7-METHYL-1H-BENZIMIDAZOLE-4-CARBONITRILE AND ITS PREFERRED SALT FORM UNIV NEBRASKA (US) 2008-11-19 — — EP disclosed
EP-1594862-B1 METHODS OF MAKING 6-[ (4,5-DIHYDRO-1H-IMIDAZOL-2-YL)AMINO-] -7-METHYL-1H-BENZIMIDAZOLE-4-CARBONITRILE AND ITS PREFERRED SALT FORM UNIV NEBRASKA (US) 2008-11-19 — — EP disclosed
EP-1953146-A1 Methods of making 6-[(4,5-Dihydro-1H-imidazol-2-yl) amino-]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt form The Board of Regents of the University of Nebraska (US) 2008-08-06 — — EP disclosed
US-7304084-B2 6-[(4,5-Dihydro-1H-imidazol-2-yl)amino]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2007-12-04 — — US disclosed
US-7304084-B2 6-[(4,5-Dihydro-1H-imidazol-2-yl)amino]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2007-12-04 — — US disclosed
US-7304084-B2 6-[(4,5-Dihydro-1H-imidazol-2-yl)amino]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2007-12-04 — — US disclosed
US-20060122248-A1 Methods of making 6-[(4,5-dihydro-1H-imidazol-2-yl)amino-]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt form BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2006-06-08 — — US disclosed
EP-1594862-A1 METHODS OF MAKING 6- (4,5-DIHYDRO-1H-IMIDAZOL-2-YL)AMINO-&rs qb;-7-METHYL-1H-BENZIMIDAZOLE-4-CARBONITRILE AND ITS PREFERRED SALT FORM The Board of Regents of the University of Nebraska (US) 2005-11-16 — — EP disclosed
WO-2004074279-A1 METHODS OF MAKING 6-[(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)AMINO-]-7-METHYL-1H-BENZIMIDAZOLE-4-CARBONITRILE AND ITS PREFERRED SALT FORM THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2004-09-02 — — WO disclosed
US-20040167194-A1 Methods of making 6-[(4,5-Dihydro-1H-imidazol-2-yl)amino-]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt form THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2004-08-26 — — 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 (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-20040167194-A1 Methods of making 6-[(4,5-Dihydro-1H-imidazol-2-yl)amino-]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt form AGTR2, ALDH1A2, REN TSHR 4384/4885MEN1 282/4885KMT2A 188/4885
US-20060122248-A1 Methods of making 6-[(4,5-dihydro-1H-imidazol-2-yl)amino-]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt form AGTR2, ALDH1A2, REN TSHR 4497/4885MEN1 426/4885KMT2A 187/4885

“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.

Send feedback