SCHEMBL3559204

SCHEMBL3559204

COC(=O)c1ccc(/C=C/c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 3/20 0.67
▸ CYP19A1 P11511 1/20 0.64
▸ MAPT P10636 4/20 0.64
▸ MEN1 O00255 3/20 0.64
▸ KMT2A Q03164 3/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ CYP3A4 P08684 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ RAB9A P51151 1/20 0.64
▸ ALDH1A1 P00352 2/20 0.56
▸ PTPN1 P18031 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ MAOB P27338 1/20 0.54
▸ LMNA P02545 1/20 0.53
▸ TRPV1 Q8NER1 2/20 0.53
▸ FBP1 P09467 1/20 0.52
▸ VCP P55072 1/20 0.52
▸ SNCA P37840 1/20 0.52
▸ TXNRD1 Q16881 1/20 0.52
▸ TXNRD3 Q86VQ6 1/20 0.52

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
SCHEMBL3559206 1.00 NFE2L2 (0.67) NFE2L2CYP19A1MAPTMEN1KMT2A
SCHEMBL12973292 0.86 POLB (0.68) CYP19A1MAPTMEN1KMT2AALDH1A1
SCHEMBL14659792 0.86 POLB (0.68) CYP19A1MAPTMEN1KMT2AALDH1A1
SCHEMBL11301074 0.82 CYP19A1 (0.93) NFE2L2CYP19A1MAPTMEN1KMT2A
SCHEMBL11301072 0.82 CYP19A1 (0.93) NFE2L2CYP19A1MAPTMEN1KMT2A
SCHEMBL13890859 0.81 SNCA (0.58) NFE2L2CYP19A1MAPTMEN1KMT2A
SCHEMBL22624769 0.81 PTPN1 (0.59) MAPTMEN1KMT2AALDH1A1PTPN1
SCHEMBL12760734 0.80 NFE2L2 (1.00) NFE2L2CYP19A1MAPTMEN1KMT2A
SCHEMBL12760733 0.80 NFE2L2 (1.00) NFE2L2CYP19A1MAPTMEN1KMT2A
Dinitrophenylene SCHEMBL27567750 0.80 MEN1 (0.64) MAPTMEN1KMT2ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 — — US disclosed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 — — US disclosed
EP-1761486-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES Merck Patent GmbH (DE) 2007-03-14 — — EP disclosed
WO-2006000288-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2006-01-05 — — 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-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes SLC5A1, ALDH7A1, ASS1 NFE2L2 896/4885CYP19A1 351/4885MAPT 4130/4885

“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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