SCHEMBL4824287

SCHEMBL4824287

CC(=O)N(C)c1ccc2c([N+](=O)[O-])cccc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.57
▸ MAPT P10636 4/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ POLB P06746 2/20 0.47
▸ ELANE P08246 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42
▸ KLK3 P07288 1/20 0.40
▸ NCOA1 Q15788 1/20 0.40
▸ NCOA3 Q9Y6Q9 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ TXNRD1 Q16881 1/20 0.39
▸ TXNRD3 Q86VQ6 1/20 0.39
▸ TXNRD2 Q9NNW7 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM1 P11229 1/20 0.39

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
SCHEMBL9762545 0.84 ALDH1A1 (0.65) ALDH1A1MAPTSMN1; SMN2L3MBTL1RAB9A
SCHEMBL4822308 0.77 ELANE (0.47) ALDH1A1MAPTL3MBTL1RAB9ANPC1
SCHEMBL4816783 0.75 MAPT (0.60) ALDH1A1MAPTSMN1; SMN2L3MBTL1RAB9A
SCHEMBL297995 0.74 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2L3MBTL1RAB9A
SCHEMBL6272457 0.73 ALDH1A1 (0.66) ALDH1A1MAPTSMN1; SMN2L3MBTL1RAB9A
SCHEMBL3955324 0.73 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2L3MBTL1RAB9A
SCHEMBL27795495 0.72 ALDH1A1 (0.64) ALDH1A1MAPTSMN1; SMN2L3MBTL1RAB9A
SCHEMBL4822525 0.71 ALDH1A1 (0.55) ALDH1A1MAPTSMN1; SMN2L3MBTL1RAB9A
SCHEMBL4816829 0.71 ALDH1A1 (0.67) ALDH1A1MAPTSMN1; SMN2L3MBTL1RAB9A
SCHEMBL27648083 0.70 ALDH1A1 (0.57) ALDH1A1MAPTSMN1; SMN2L3MBTL1RAB9A

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
US-7329753-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2008-02-12 — — US disclosed
EP-1492771-B1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AG (DE) 2007-02-28 — — EP disclosed
US-20060229333-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2006-10-12 — — US disclosed
US-7109212-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2006-09-19 — — US disclosed
US-20050165050-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2005-07-28 — — US disclosed
US-6897224-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2005-05-24 — — US disclosed
EP-1492771-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-05 — — EP disclosed
US-20040116694-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2004-06-17 — — US disclosed
WO-2003082827-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-09 — — 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 (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-20060229333-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors NFKBIA, IL1B, IRF3 ALDH1A1 1538/4885MAPT 1366/4885SMN1; SMN2 4785/4885
US-20050165050-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors NFKBIA, IL1B, IRF3 ALDH1A1 1538/4885MAPT 1366/4885SMN1; SMN2 4785/4885

“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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