SCHEMBL11030756

SCHEMBL11030756

COC(=O)c1ccc(NC2(C)C(=O)N(c3ccccc3)c3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ HTT P42858 1/20 0.40
▸ CTSG P08311 1/20 0.40
▸ CMA1 P23946 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ PTPN1 P18031 1/20 0.40

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
SCHEMBL16181980 0.88 HDAC6 (0.42) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11029309 0.86 HDAC6 (0.55) ALDH1A1HDAC8HDAC6CYP1A2CYP3A4
SCHEMBL11892110 0.81 CA1 (0.49) LMNAMAPTCA1CA2SMN1; SMN2
SCHEMBL11027386 0.76 HDAC6 (0.47) HDAC8HDAC6
SCHEMBL19732020 0.76 PKM (0.50) LMNAMAPTCA1CA2PKM
SCHEMBL11028721 0.72 MAPT (0.67) LMNAMAPTCA1CA2PKM
SCHEMBL11892100 0.71 HDAC8 (0.75) MAPTCA1CA2SMN1; SMN2MEN1
SCHEMBL16181979 0.70 LMNA (0.32) LMNATP53THRBALDH1A1
SCHEMBL16357241 0.68 NPC1 (0.41) LMNAMAPTPKMSMN1; SMN2MEN1
SCHEMBL12997888 0.68 PGR (0.65) MEN1KMT2AALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8404738-B2 4-amino-N-hydroxy-benzamides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2013-03-26 — — US disclosed
US-8404738-B2 4-amino-N-hydroxy-benzamides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2013-03-26 — — US disclosed
US-20120190700-A1 NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. 2012-07-26 — — US disclosed
US-20120190700-A1 NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. 2012-07-26 — — 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
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 LMNA 3523/4885MAPT 4723/4885CA1 3937/4885

“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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