SCHEMBL6570865

SCHEMBL6570865

O=C(NO)c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.66
CA12 O43570 1/20 0.66
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
CA7 P43166 1/20 0.66
CA9 Q16790 1/20 0.66
CA14 Q9ULX7 1/20 0.66
GAA P10253 1/20 0.62
CYP2C9 P11712 3/20 0.57
CYP2C19 P33261 3/20 0.57
MAPK14 Q16539 3/20 0.57
HTR2B P41595 2/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
FAAH O00519 1/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56

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
SCHEMBL10719972 0.90 HTT (0.78) HTTCA12CA1CA2CA7
SCHEMBL7232379 0.87 HTT (0.73) HTTCA12CA1CA2CA7
SCHEMBL7238728 0.85 HTT (0.70) HTTCA12CA1CA2CA7
SCHEMBL29941294 0.84 HTT (0.69) HTTCA12CA1CA2CA7
SCHEMBL3455691 0.84 HTT (0.69) HTTCA12CA1CA2CA7
SCHEMBL95918 0.84 HTT (0.69) HTTCA12CA1CA2CA7
SCHEMBL17730097 0.84 HTT (0.69) HTTCA12CA1CA2CA7
SCHEMBL7238944 0.84 CA12 (0.73) HTTCA12CA1CA2CA7
SCHEMBL28758293 0.83 MEN1 (0.65) HTTCA12CA1CA2CA7
SCHEMBL5721828 0.82 CYP2C9 (0.55) GAACYP2C9CYP2C19MAPK14HTR2B

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 HTT 2354/4885CA12 2039/4885CA1 528/4885
US-20030013757-A1 Aromatic dicarboxylic acid derivatives HDAC1, HDAC2, HDAC11 HTT 2354/4885CA12 2039/4885CA1 528/4885

“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.