SCHEMBL2264423

SCHEMBL2264423

Nc1cc(Cl)c(-c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.49
ALDH1A1 P00352 5/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 1/20 0.49
HSP90AA1 P07900 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
CYP3A4 P08684 2/20 0.44
PDE7A Q13946 3/20 0.43
HPRT1 P00492 1/20 0.43
MAPK1 P28482 1/20 0.42
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.40
DHFR P00374 1/20 0.40
PSMD14 O00487 1/20 0.40

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
SCHEMBL12364210 0.97 TDP1 (0.51) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL15329618 0.88 MAPT (0.51) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL15340917 0.85 TSHR (0.54) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL15329958 0.85 TDP1 (0.49) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL7657590 0.84 TDP1 (0.58) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL2544759 0.82 TDP1 (0.49) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL9069658 0.82 ALDH1A1 (0.56) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL15330297 0.81 ALDH1A1 (0.47) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10713235 0.80 TDP1 (0.58) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL2265147 0.78 CSNK2A1 (0.47) TDP1ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2352374-B1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed
EP-2352374-B1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed
US-8563746-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP (US) 2013-10-22 US disclosed
US-8563746-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP (US) 2013-10-22 US disclosed
US-8563746-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP (US) 2013-10-22 US disclosed
US-20110195964-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2011-08-11 US disclosed
US-20110195964-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2011-08-11 US disclosed
US-20110195964-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2011-08-11 US disclosed
WO-2010051176-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2010-05-06 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 (1 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-20110195964-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 TDP1 3641/4885ALDH1A1 1887/4885MAPT 4011/4885

“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.