SCHEMBL2837576

SCHEMBL2837576

Cc1ccc(C(=O)Nc2ccc(C(C(=O)NO)c3ccccc3)cc2)cc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
KMT2A Q03164 3/20 0.59
HDAC1 Q13547 5/20 0.53
HDAC8 Q9BY41 5/20 0.53
HDAC6 Q9UBN7 5/20 0.53
HDAC3 O15379 4/20 0.53
HDAC4 P56524 4/20 0.53
HDAC7 Q8WUI4 4/20 0.53
HDAC2 Q92769 4/20 0.53
HDAC10 Q969S8 4/20 0.53
HDAC11 Q96DB2 4/20 0.53
HDAC9 Q9UKV0 4/20 0.53
HDAC5 Q9UQL6 4/20 0.53
MAPT P10636 2/20 0.52
FKBP5 Q13451 1/20 0.50
POLB P06746 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL20490339 0.90 KMT2A (0.53) NPC1RAB9AKMT2AHDAC1HDAC8
SCHEMBL2839094 0.89 HDAC1 (0.53) NPC1RAB9AKMT2AHDAC1HDAC8
SCHEMBL2839081 0.89 POLB (0.49) NPC1RAB9AKMT2AHDAC1HDAC8
SCHEMBL2848079 0.86 NPC1 (0.63) NPC1RAB9AKMT2AHDAC1HDAC8
SCHEMBL2840254 0.85 KCNK3 (0.59) NPC1RAB9AKMT2AHDAC1HDAC8
SCHEMBL2839655 0.84 HDAC2 (0.66) NPC1RAB9AKMT2AHDAC1HDAC8
SCHEMBL2846606 0.82 NPC1 (0.55) NPC1RAB9AKMT2AHDAC1HDAC8
SCHEMBL2842595 0.82 MEN1 (0.61) NPC1RAB9AKMT2AHDAC1HDAC8
SCHEMBL8117004 0.82 HDAC2 (0.62) NPC1RAB9AKMT2AHDAC1HDAC8
SCHEMBL20490627 0.82 MEN1 (0.66) NPC1RAB9AKMT2AMAPTPOLB

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-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP claimed
EP-2139850-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-01-06 EP claimed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US claimed
WO-2008122115-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-10-16 WO claimed
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
EP-2139850-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-01-06 EP disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
WO-2008122115-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-10-16 WO 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 NPC1 803/4885RAB9A 2699/4885KMT2A 58/4885

“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.