SCHEMBL6572555

SCHEMBL6572555

O=C(NO)c1ccc(C(=O)NC2CCCc3ccccc32)cc1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.82
KMT2A Q03164 3/20 0.82
HTT P42858 1/20 0.82
ALDH1A1 P00352 6/20 0.73
TAS1R3 Q7RTX0 6/20 0.73
TAS1R1 Q7RTX1 6/20 0.73
KDM4E B2RXH2 1/20 0.73
L3MBTL1 Q9Y468 1/20 0.73
MEN1 O00255 2/20 0.71
CYP2D6 P10635 1/20 0.67
TAS1R2 Q8TE23 3/20 0.65
TSHR P16473 1/20 0.65
POLB P06746 1/20 0.65

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
SCHEMBL6570868 0.92 LMNA (0.69) LMNAKMT2AHTTALDH1A1TAS1R3
SCHEMBL2406255 0.90 HTT (1.00) LMNAKMT2AHTTALDH1A1TAS1R3
SCHEMBL5436807 0.90 HTT (1.00) LMNAKMT2AHTTALDH1A1TAS1R3
SCHEMBL21780113 0.89 HTT (0.82) LMNAKMT2AHTTALDH1A1TAS1R3
SCHEMBL10527008 0.88 HTT (0.80) LMNAKMT2AHTTALDH1A1TAS1R3
SCHEMBL30823638 0.88 HTT (0.84) LMNAKMT2AHTTALDH1A1TAS1R3
SCHEMBL22289415 0.88 HTT (0.84) LMNAKMT2AHTTALDH1A1TAS1R3
Hydrochloric Acid SCHEMBL10528633 0.86 HTT (0.78) LMNAKMT2AHTTALDH1A1TAS1R3
SCHEMBL12505792 0.85 HTT (0.80) LMNAKMT2AHTTALDH1A1TAS1R3
SCHEMBL703278 0.84 TAS1R3 (1.00) LMNAKMT2AHTTALDH1A1TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040214862-A1 Aromatic dicarboxylic acid derivatives LESER-REIFF ULRIKE 2004-10-28 US claimed
US-20030013757-A1 Aromatic dicarboxylic acid derivatives HOFFMANN-LA ROCHE INC. 2003-01-16 US claimed
US-20040214862-A1 Aromatic dicarboxylic acid derivatives LESER-REIFF ULRIKE 2004-10-28 US disclosed
US-6784173-B2 ANTIPROLIFERATIVE AGENTS; ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2004-08-31 US disclosed
EP-1401824-A2 AROMATIC HYDROXAMIC ACID DERIVATIVES USEFUL AS HDAC INHIBITORS F. Hoffman-la Roche AG (CH) 2004-03-31 EP disclosed
WO-2003011851-A2 AROMATIC HYDROXAMIC ACID DERIVATIVES USEFUL AS HDAC INHIBITORS F. HOFFMAN-LA ROCHE AG (CH) 2003-02-13 WO disclosed
US-20030013757-A1 Aromatic dicarboxylic acid derivatives HOFFMANN-LA ROCHE INC. 2003-01-16 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 (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-20040214862-A1 Aromatic dicarboxylic acid derivatives HDAC1, HDAC2, HDAC11 LMNA 2341/4885KMT2A 43/4885HTT 2354/4885
US-20030013757-A1 Aromatic dicarboxylic acid derivatives HDAC1, HDAC2, HDAC11 LMNA 2341/4885KMT2A 43/4885HTT 2354/4885

“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.