SCHEMBL7605710

SCHEMBL7605710

Nc1cc(C(=O)NCc2ccc(-c3ccccc3)cc2)cc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.54
▸ HDAC1 Q13547 2/20 0.54
▸ EPHX2 P34913 2/20 0.53
▸ NR1H4 Q96RI1 2/20 0.53
▸ CA2 P00918 2/20 0.53
▸ CA1 P00915 1/20 0.53
▸ HDAC3 O15379 1/20 0.52
▸ HDAC4 P56524 1/20 0.52
▸ HDAC7 Q8WUI4 1/20 0.52
▸ HDAC2 Q92769 1/20 0.52
▸ HDAC10 Q969S8 1/20 0.52
▸ HDAC11 Q96DB2 1/20 0.52
▸ HDAC8 Q9BY41 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ HDAC9 Q9UKV0 1/20 0.52
▸ HDAC5 Q9UQL6 1/20 0.52
▸ MAPT P10636 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ PKM P14618 1/20 0.51

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
SCHEMBL7713793 0.83 ALOX5 (0.73) ALOX5MAPTALDH1A1SMN1; SMN2PKM
SCHEMBL7617147 0.80 EPHX2 (0.58) HDAC1EPHX2NR1H4CA2CA1
SCHEMBL7610893 0.79 CHRNB2 (0.52) ALOX5HDAC1EPHX2NR1H4HDAC3
SCHEMBL7606673 0.78 EPHX2 (0.68) HDAC1EPHX2NR1H4CA2CA1
SCHEMBL9999560 0.77 HDAC6 (0.60) HDAC1CA2HDAC2HDAC8HDAC6
SCHEMBL4981515 0.76 EPHX2 (0.77) HDAC1EPHX2NR1H4CA2CA1
SCHEMBL6961817 0.76 CA2 (0.68) HDAC1CA2HDAC6SMN1; SMN2MEN1
SCHEMBL30451611 0.76 HDAC1 (0.60) HDAC1EPHX2NR1H4CA2CA1
SCHEMBL4748581 0.76 ALOX5 (0.81) ALOX5MAPTALDH1A1SMN1; SMN2PKM
SCHEMBL1083633 0.76 MEN1 (0.77) ALOX5HDAC2HDAC8HDAC6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020032238-A1 Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-03-14 — — US 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-20020032238-A1 Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments MTTP, CETP, FABP1 ALOX5 837/4885HDAC1 771/4885EPHX2 1348/4885

“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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