SCHEMBL2844396

SCHEMBL2844396

O=C(Nc1ccc(C(C(=O)NO)c2ccccc2)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
TRPV1 Q8NER1 4/20 0.55
PTGS1 P23219 2/20 0.55
HDAC8 Q9BY41 3/20 0.54
HDAC6 Q9UBN7 3/20 0.54
HDAC3 O15379 2/20 0.54
TACR1 P25103 1/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
RORC P51449 1/20 0.53
HIF1A Q16665 1/20 0.52
EPAS1 Q99814 1/20 0.52
P2RX1 P51575 1/20 0.51

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
SCHEMBL2847613 0.88 LMNA (0.68) NPC1RAB9APTGS1HDAC8HDAC6
SCHEMBL2839655 0.88 HDAC2 (0.66) NPC1RAB9AHDAC8HDAC6HDAC3
SCHEMBL2841983 0.87 HDAC6 (0.63) NPC1RAB9ATRPV1HDAC8HDAC6
SCHEMBL2839321 0.87 RAB9A (0.63) NPC1RAB9AHDAC8HDAC6HDAC3
SCHEMBL8117004 0.86 HDAC2 (0.62) NPC1RAB9AHDAC8HDAC6HDAC3
SCHEMBL20490213 0.85 TRPV1 (0.57) NPC1RAB9ATRPV1HDAC8HDAC6
SCHEMBL2843733 0.85 TRPV1 (0.60) NPC1RAB9ATRPV1HDAC8HDAC6
SCHEMBL2848079 0.84 NPC1 (0.63) NPC1RAB9AHDAC8HDAC6HDAC3
SCHEMBL2842539 0.84 HDAC4 (0.62) NPC1RAB9AHDAC8HDAC6HDAC3
SCHEMBL2847561 0.84 HTT (0.63) RAB9AHDAC8HDAC6HDAC3HDAC2

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 11 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
CN-101679220-A Histone deacetylase inhibitor METHYLGENE INC 2010-03-24 CN 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
CN-101679220-A Histone deacetylase inhibitor METHYLGENE INC 2010-03-24 CN 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 2699/4885TRPV1 3827/4885

“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.