SCHEMBL6571020

SCHEMBL6571020

O=C(NO)c1ccc(C(=O)NCCc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 5/20 1.00
HDAC8 Q9BY41 5/20 1.00
HDAC6 Q9UBN7 4/20 1.00
HDAC1 Q13547 4/20 0.79
HDAC3 O15379 1/20 0.79
HDAC4 P56524 1/20 0.79
HDAC7 Q8WUI4 1/20 0.79
HDAC10 Q969S8 1/20 0.79
HDAC11 Q96DB2 1/20 0.79
HDAC9 Q9UKV0 1/20 0.79
HDAC5 Q9UQL6 1/20 0.79
RAB9A P51151 7/20 0.73
NPC1 O15118 6/20 0.73
MLYCD O95822 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.66
HSD17B10 Q99714 1/20 0.66
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
TAAR1 Q96RJ0 1/20 0.66
MAPT P10636 1/20 0.64

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
SCHEMBL2407920 0.90 HDAC8 (0.82) HDAC2HDAC8HDAC6HDAC1HDAC3
SCHEMBL3454460 0.89 HDAC2 (0.80) HDAC2HDAC8HDAC6HDAC1HDAC3
SCHEMBL751214 0.89 HDAC2 (0.80) HDAC2HDAC8HDAC6HDAC1HDAC3
SCHEMBL29349778 0.89 HDAC2 (1.00) HDAC2HDAC8HDAC6HDAC1HDAC3
SCHEMBL17549783 0.89 HDAC2 (1.00) HDAC2HDAC8HDAC6HDAC1HDAC3
SCHEMBL3873689 0.88 HSP90AA1 (0.80) HDAC2HDAC8HDAC6HDAC1HDAC3
SCHEMBL6841899 0.88 HDAC2 (0.78) HDAC2HDAC8HDAC6RAB9ANPC1
SCHEMBL7282271 0.88 HDAC2 (0.78) HDAC2HDAC8HDAC6RAB9ANPC1
Hydrochloric Acid SCHEMBL28193721 0.87 HDAC2 (0.77) HDAC2HDAC8HDAC6HDAC1HDAC3
SCHEMBL5943847 0.86 HDAC8 (0.78) HDAC2HDAC8HDAC6HDAC1HDAC3

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 HDAC2 2/4885HDAC8 6/4885HDAC6 13/4885
US-20030013757-A1 Aromatic dicarboxylic acid derivatives HDAC1, HDAC2, HDAC11 HDAC2 2/4885HDAC8 6/4885HDAC6 13/4885

“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.