SCHEMBL487074

SCHEMBL487074

CNc1cc(Oc2cc(C)c(N)c(C)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 7/20 0.43
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 5/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 3/20 0.39
CYP3A4 P08684 2/20 0.39
RECQL P46063 1/20 0.39
KAT2B Q92831 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL487069 0.88 MAPT (0.44) KMT2AMEN1MAPTPOLBL3MBTL1
SCHEMBL13211382 0.87 MAPT (0.53) KMT2AMEN1MAPTPOLBL3MBTL1
SCHEMBL5341171 0.85 ALDH1A1 (0.50) KMT2AMEN1MAPTPOLBALDH1A1
SCHEMBL12273311 0.82 SMN1; SMN2 (0.42) KMT2AMEN1MAPTPOLBL3MBTL1
SCHEMBL30167007 0.79 HSPB1 (0.53) KMT2AMAPTPOLBALDH1A1CYP1A2
SCHEMBL12273892 0.78 NR4A1 (0.42) KMT2AMEN1MAPTPOLBL3MBTL1
SCHEMBL502729 0.77 ALDH1A1 (0.40) KMT2AMEN1MAPTPOLBL3MBTL1
SCHEMBL12273312 0.77 AKR1B10 (0.40) KMT2AMEN1MAPTPOLBL3MBTL1
Hydrochloric Acid SCHEMBL12273007 0.77 NR4A1 (0.41) KMT2AMEN1MAPTPOLBL3MBTL1
SCHEMBL487505 0.77 SMN1; SMN2 (0.40) KMT2AMEN1MAPTPOLBL3MBTL1

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
US-7816552-B2 Intermediate of 6-substituted 1-methyl-1-H-benzimidazole derivative and method for producing same SANKYO COMPANY, LIMITED (JP) 2010-10-19 US claimed
US-20090023929-A1 Intermediate of 6-Substituted 1-Methyl-1-H-Benzimidazole Derivative and Method for Producing Same SANKYO COMPANY, LIMITED (JP) 2009-01-22 US claimed
EP-2505587-A1 METHOD FOR MANUFACTURING A 6-SUBSTITUTED-1-METHYL-1H-BENZIMIDAZOLE DERIVATIVE, AND MANUFACTURING INTERMEDIATE FROM SAID METHOD DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-03 EP disclosed
US-20120238759-A1 METHOD FOR MANUFACTURING A 6-SUBSTITUTED 1-METHYL-1H-BENZIMIDAZOLE DERIVATIVE AND AN INTERMEDIATE OF SAID METHOD DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-09-20 US disclosed
CN-102391203-A Intermediate of 6-substituted-1-methyl-1-h-benzimidazole derivative and method for producing same SANKYO CO 2012-03-28 CN disclosed
US-8106079-B2 Intermediate of 6-substituted-1-methyl-1-H-benzimidazole derivative and method for producing same SANKYO COMPANY, LIMITED (JP) 2012-01-31 US disclosed
CN-101068770-B Process for producing 6-substituted-1-methyl-1-H-benzimidazole derivative and synthetic intermediate therefor SANKYO CO 2012-01-04 CN disclosed
US-7816552-B2 Intermediate of 6-substituted 1-methyl-1-H-benzimidazole derivative and method for producing same SANKYO COMPANY, LIMITED (JP) 2010-10-19 US disclosed
US-20100234612-A1 Intermediate of 6-substituted-1-methyl-1-H-benzimidazole derivative and method for producing same SANKYO COMPANY, LIMITED (JP) 2010-09-16 US disclosed
US-20090023929-A1 Intermediate of 6-Substituted 1-Methyl-1-H-Benzimidazole Derivative and Method for Producing Same SANKYO COMPANY, LIMITED (JP) 2009-01-22 US disclosed
CN-101068770-A Process for producing 6-substituted-1-methyl-1-H-benzimidazole derivative and synthetic intermediate therefor SANKYO CO (JP) 2007-11-07 CN disclosed
EP-1798216-A1 INTERMEDIATE OF 6-SUBSTITUTED-1-METHYL-1-H-BENZIMIDAZOLE DERIVATIVE AND METHOD FOR PRODUCING SAME Sankyo Company, Limited (JP) 2007-06-20 EP 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-20090023929-A1 Intermediate of 6-Substituted 1-Methyl-1-H-Benzimidazole Derivative and Method for Producing Same AZI2, CYC1, CCNI KMT2A 1359/4885MEN1 2082/4885MAPT 4036/4885
US-20120238759-A1 METHOD FOR MANUFACTURING A 6-SUBSTITUTED 1-METHYL-1H-BENZIMIDAZOLE DERIVATIVE AND AN INTERMEDIATE OF SAID METHOD H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, H1-4 KMT2A 398/4885MEN1 335/4885MAPT 3553/4885
US-20100234612-A1 Intermediate of 6-substituted-1-methyl-1-H-benzimidazole derivative and method for producing same CYC1, CYP2B6, COX6B1 KMT2A 625/4885MEN1 1306/4885MAPT 4386/4885

“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.