SCHEMBL4258378

SCHEMBL4258378

Nc1ccccc1NC(=O)c1ccc(C(=O)C=Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.59
CYP1B1 Q16678 1/20 0.59
HDAC1 Q13547 9/20 0.59
HDAC3 O15379 2/20 0.55
HDAC2 Q92769 2/20 0.55
MAPK1 P28482 1/20 0.55
CXCL12 P48061 1/20 0.55
MET P08581 1/20 0.54
PTGS2 P35354 1/20 0.54
NCOR2 Q9Y618 1/20 0.53
MAOA P21397 1/20 0.53
KCNH2 Q12809 2/20 0.52
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
PTGS1 P23219 1/20 0.51
NAMPT P43490 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
SCHEMBL4258375 1.00 MAOB (0.59) MAOBCYP1B1HDAC1HDAC3HDAC2
SCHEMBL4261187 0.91 HDAC1 (0.68) MAOBCYP1B1HDAC1HDAC3HDAC2
SCHEMBL4261184 0.91 HDAC1 (0.68) MAOBCYP1B1HDAC1HDAC3HDAC2
SCHEMBL4259539 0.87 PTGS2 (0.53) CYP1B1HDAC1HDAC3HDAC2MAPK1
SCHEMBL4259537 0.87 PTGS2 (0.53) CYP1B1HDAC1HDAC3HDAC2MAPK1
SCHEMBL4255388 0.85 PTGS1 (0.74) MAOBCYP1B1HDAC1HDAC3HDAC2
SCHEMBL4255384 0.85 PTGS1 (0.74) MAOBCYP1B1HDAC1HDAC3HDAC2
SCHEMBL4263628 0.84 HDAC1 (0.74) MAOBCYP1B1HDAC1HDAC3HDAC2
SCHEMBL4263626 0.84 HDAC1 (0.74) MAOBCYP1B1HDAC1HDAC3HDAC2
SCHEMBL1064700 0.83 HDAC1 (0.65) HDAC1HDAC3HDAC2MAPK1NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023734-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-01-22 US disclosed
US-7282608-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2007-10-16 US disclosed
US-20060020131-A1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents METHYLGENE, INC. (CA) 2006-01-26 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 (2 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-20090023734-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC6 MAOB 2015/4885CYP1B1 4130/4885HDAC1 1/4885
US-20060020131-A1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents HDAC1, AADAC, HDAC11 MAOB 2389/4885CYP1B1 2294/4885HDAC1 1/4885

“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.