SCHEMBL5109312

SCHEMBL5109312

N#CC(c1nc2ccccc2s1)c1ncnc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ NPSR1 Q6W5P4 3/20 0.53
▸ TDP1 Q9NUW8 3/20 0.53
▸ HTT P42858 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ NPY1R P25929 1/20 0.53
▸ NPY2R P49146 1/20 0.53
▸ THRB P10828 1/20 0.52
▸ MAPK10 P53779 11/20 0.51
▸ MAPK9 P45984 10/20 0.51
▸ HPGD P15428 2/20 0.39
▸ NSD2 O96028 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ MAPK8 P45983 2/20 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
SCHEMBL9455629 0.77 MAPT (0.57) ALDH1A1MEN1LMNAMAPTKMT2A
SCHEMBL11512950 0.70 ALDH1A1 (0.47) ALDH1A1MEN1LMNAMAPTKMT2A
SCHEMBL5096467 0.69 MAPK10 (0.67) ALDH1A1MEN1LMNAMAPTKMT2A
SCHEMBL7396493 0.69 MAPK10 (0.64) ALDH1A1MEN1LMNAMAPTKMT2A
SCHEMBL7400010 0.68 HPGD (0.59) ALDH1A1MEN1LMNAMAPTKMT2A
SCHEMBL7395747 0.68 MAPK10 (0.66) ALDH1A1MEN1LMNAMAPTKMT2A
SCHEMBL1519025 0.68 MAPK10 (1.00) ALDH1A1MEN1LMNAMAPTKMT2A
SCHEMBL7390085 0.67 MAPK10 (0.69) ALDH1A1MEN1LMNAMAPTKMT2A
SCHEMBL9455568 0.67 MAPK9 (0.58) ALDH1A1MEN1LMNAMAPTKMT2A
SCHEMBL7394115 0.67 L3MBTL1 (0.57) ALDH1A1MEN1LMNAMAPTKMT2A

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-7259162-B2 Benzazole derivatives and their use as JNK modulators APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-21 — — US claimed
EP-1240164-B1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS (AN) 2003-11-12 — — EP claimed
US-20030162794-A1 Benzazole derivatives and their use as jnk modulators MERCK SERONO SA (CH) 2003-08-28 — — US claimed
EP-1110957-A1 Benzazole derivatives and their use as JNK modulators Applied Research Systems ARS Holding N.V. (AN) 2001-06-27 — — EP claimed
US-7470686-B2 Method of inhibiting the expression and/or the activity of JNK LABORATOIRES SERONO SA (CH) 2008-12-30 — — US disclosed
US-20070259892-A1 METHOD OF INHIBITING THE EXPRESSION AND/OR THE ACTIVITY OF JNK APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-11-08 — — US disclosed
US-7259162-B2 Benzazole derivatives and their use as JNK modulators APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-21 — — US disclosed
EP-1240164-B1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS (AN) 2003-11-12 — — EP disclosed
US-20030162794-A1 Benzazole derivatives and their use as jnk modulators MERCK SERONO SA (CH) 2003-08-28 — — US disclosed
EP-1240164-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2002-09-18 — — EP disclosed
WO-2001047920-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-07-05 — — WO disclosed
EP-1110957-A1 Benzazole derivatives and their use as JNK modulators Applied Research Systems ARS Holding N.V. (AN) 2001-06-27 — — 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 (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-20030162794-A1 Benzazole derivatives and their use as jnk modulators MAPK1, MAPK3, MAPKAPK2 ALDH1A1 3749/4885MEN1 4677/4885LMNA 4058/4885
US-20070259892-A1 METHOD OF INHIBITING THE EXPRESSION AND/OR THE ACTIVITY OF JNK MAP3K20, MAPK3, MAPK10 ALDH1A1 4458/4885MEN1 4455/4885LMNA 3915/4885

“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.

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