SCHEMBL5508987

SCHEMBL5508987

Cc1ccc(NC(=O)N2CCN(c3ccc(C(=O)NO)cc3)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.77
ALDH1A1 P00352 5/20 0.69
CYP2C9 P11712 1/20 0.69
HPGD P15428 1/20 0.69
CYP2C19 P33261 1/20 0.69
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
LMNA P02545 3/20 0.64
KDM4E B2RXH2 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
MCL1 Q07820 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
TP53 P04637 3/20 0.62
POLB P06746 2/20 0.62
MAPK1 P28482 2/20 0.61
PKM P14618 1/20 0.61
HDAC6 Q9UBN7 2/20 0.59
HDAC8 Q9BY41 1/20 0.59

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
SCHEMBL26758591 0.89 MAPT (0.84) MAPTALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL598858 0.87 MAPT (0.81) MAPTALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL5525070 0.84 MAPT (0.69) MAPTALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL22601218 0.84 MAPT (0.76) MAPTALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL29178284 0.83 CA12 (0.78) MAPTALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL26758590 0.83 CA12 (0.78) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12994627 0.82 CA12 (0.76) MAPTALDH1A1CYP2C9CYP2C19NPC1
SCHEMBL29178272 0.82 MAPT (0.69) MAPTALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL23806123 0.81 MAPT (0.79) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL26501496 0.81 PANK3 (0.79) MAPTALDH1A1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108603-A1 AMINOCARBONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-03 US disclosed
US-20120108603-A1 AMINOCARBONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-03 US disclosed
US-8114999-B2 Aminocarbonyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-14 US disclosed
US-8114999-B2 Aminocarbonyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-14 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-20100048588-A1 AMINOCARBONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE VAN EMELEN KRISTOF 2010-02-25 US disclosed
US-20100048588-A1 AMINOCARBONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE VAN EMELEN KRISTOF 2010-02-25 US disclosed
US-7501417-B2 N-(4-methylphenyl)-4-[4-[[(phenylmethoxy)amino]carbonyl]phenyl]-1-piperazinecarboxamide; anticarcinogenic, antiproliferative agent; ovarian carcinoma, psoriasis; gene transcription control JANSSEN PHARMACEUTICA, N.V. (BE) 2009-03-10 US disclosed
US-7501417-B2 N-(4-methylphenyl)-4-[4-[[(phenylmethoxy)amino]carbonyl]phenyl]-1-piperazinecarboxamide; anticarcinogenic, antiproliferative agent; ovarian carcinoma, psoriasis; gene transcription control JANSSEN PHARMACEUTICA, N.V. (BE) 2009-03-10 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 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 (3 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-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 MAPT 2110/4885ALDH1A1 796/4885CYP2C9 4774/4885
US-20100048588-A1 AMINOCARBONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 MAPT 3726/4885ALDH1A1 1173/4885CYP2C9 3875/4885
US-20120108603-A1 AMINOCARBONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 MAPT 3726/4885ALDH1A1 1173/4885CYP2C9 3875/4885

“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.