SCHEMBL461910

SCHEMBL461910

CCCCCC(=O)Cc1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ GAA P10253 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ POLB P06746 3/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CTSB P07858 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ GPR35 Q9HC97 1/20 0.43
▸ NOX4 Q9NPH5 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ THRB P10828 1/20 0.42

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
SCHEMBL899648 0.81 ALDH1A1 (0.50) ALDH1A1GAASMN1; SMN2TDP1MEN1
SCHEMBL899647 0.81 ALDH1A1 (0.50) ALDH1A1GAASMN1; SMN2TDP1MEN1
SCHEMBL28026694 0.80 TDP1 (0.49) ALDH1A1GAASMN1; SMN2TDP1MEN1
SCHEMBL8398671 0.80 TDP1 (0.49) ALDH1A1GAASMN1; SMN2TDP1MEN1
SCHEMBL27556368 0.80 ALDH1A1 (0.51) ALDH1A1L3MBTL1GAASMN1; SMN2TDP1
SCHEMBL5153725 0.78 GPR35 (0.51) ALDH1A1L3MBTL1GAASMN1; SMN2MEN1
SCHEMBL4231830 0.77 ALDH1A1 (0.58) ALDH1A1L3MBTL1GAASMN1; SMN2TDP1
SCHEMBL14032363 0.77 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL9644637 0.77 ALDH1A1 (0.50) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL4236872 0.76 CYP1A2 (0.66) ALDH1A1L3MBTL1GAASMN1; SMN2MEN1

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-8674121-B2 Process for the production of benzofurans SANOFI (FR) 2014-03-18 — — US claimed
EP-2435398-B1 PROCESS FOR THE PRODUCTION OF BENZOFURANS SANOFI SA (FR) 2014-01-22 — — EP claimed
US-20120065411-A1 PROCESS FOR THE PRODUCTION OF BENZOFURANS SANOFI (FR) 2012-03-15 — — US claimed
US-8674121-B2 Process for the production of benzofurans SANOFI (FR) 2014-03-18 — — US disclosed
US-8674121-B2 Process for the production of benzofurans SANOFI (FR) 2014-03-18 — — US disclosed
EP-2435398-B1 PROCESS FOR THE PRODUCTION OF BENZOFURANS SANOFI SA (FR) 2014-01-22 — — EP disclosed
CN-102459146-A Process for preparing benzofurans SANOFI SA 2012-05-16 — — CN disclosed
EP-2435398-A1 PROCESS FOR THE PRODUCTION OF BENZOFURANS SANOFI (FR) 2012-04-04 — — EP disclosed
US-20120065411-A1 PROCESS FOR THE PRODUCTION OF BENZOFURANS SANOFI (FR) 2012-03-15 — — US disclosed
US-20120065411-A1 PROCESS FOR THE PRODUCTION OF BENZOFURANS SANOFI (FR) 2012-03-15 — — US disclosed
WO-2010136500-A1 PROCESS FOR THE PRODUCTION OF BENZOFURANS SANOFI-AVENTIS (FR) 2010-12-02 — — WO disclosed
WO-2010136500-A1 PROCESS FOR THE PRODUCTION OF BENZOFURANS SANOFI-AVENTIS (FR) 2010-12-02 — — 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-20120065411-A1 PROCESS FOR THE PRODUCTION OF BENZOFURANS CYP2F1, CYP2B6, CYP4F2 ALDH1A1 335/4885L3MBTL1 3348/4885GAA 255/4885

“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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