SCHEMBL11028767

SCHEMBL11028767

O=C(NO)c1ccc(N(C2CCNC2)S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H3 Q13133 1/20 0.47
▸ ESR1 P03372 1/20 0.44
▸ HDAC6 Q9UBN7 8/20 0.43
▸ HDAC8 Q9BY41 7/20 0.43
▸ HDAC3 O15379 4/20 0.43
▸ MCL1 Q07820 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SLC6A2 P23975 4/20 0.39
▸ SLC6A4 P31645 4/20 0.39
▸ HDAC1 Q13547 3/20 0.39
▸ HDAC11 Q96DB2 2/20 0.39
▸ SLC6A3 Q01959 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CA9 Q16790 1/20 0.38

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
SCHEMBL11296050 0.94 MCL1 (0.48) NR1H3ESR1HDAC6HDAC8HDAC3
SCHEMBL11305637 0.89 HDAC6 (0.57) NR1H3ESR1HDAC6HDAC8HDAC3
SCHEMBL11299418 0.89 HDAC8 (0.44) HDAC6HDAC8HDAC3HDAC11HSD17B10
SCHEMBL11306334 0.81 HDAC1 (0.45) HDAC6HDAC8HDAC3SLC6A2SLC6A4
SCHEMBL11302583 0.78 SLC6A2 (0.53) HDAC6HDAC8HDAC3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL9785714 0.76 ESR1 (0.58) NR1H3ESR1MCL1TSHRMAPK1
SCHEMBL11300778 0.75 HDAC1 (0.49) HDAC6HDAC8HDAC3SLC6A2SLC6A4
SCHEMBL11301824 0.73 KDM4E (0.39) HDAC6HDAC8SLC6A2SLC6A4HDAC1
SCHEMBL11300763 0.72 HDAC8 (0.42) HDAC8ALOX15
SCHEMBL11298741 0.71 SLC6A4 (0.45) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2665706-A1 NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES AS HDAC INHIBITORS FOR THE TREATMENT OF CANCER F.HOFFMANN-LA ROCHE AG (CH) 2013-11-27 — — EP claimed
US-8404738-B2 4-amino-N-hydroxy-benzamides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2013-03-26 — — US claimed
US-20120190700-A1 NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. 2012-07-26 — — US claimed
WO-2012098132-A1 NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES AS HDAC INHIBITORS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — WO claimed
EP-2665706-B1 NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES AS HDAC INHIBITORS FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2014-10-22 — — EP disclosed
EP-2665706-A1 NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES AS HDAC INHIBITORS FOR THE TREATMENT OF CANCER F.HOFFMANN-LA ROCHE AG (CH) 2013-11-27 — — EP disclosed
US-8404738-B2 4-amino-N-hydroxy-benzamides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2013-03-26 — — US disclosed
WO-2012098132-A1 NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES AS HDAC INHIBITORS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — WO disclosed
US-20120190700-A1 NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. 2012-07-26 — — 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-20120190700-A1 NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER HRH4, H1-4, HNMT NR1H3 1535/4885ESR1 674/4885HDAC6 155/4885

“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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