SCHEMBL4255388

SCHEMBL4255388

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

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.74
CYP1A1 P04798 6/20 0.64
CYP1B1 Q16678 6/20 0.64
MAOB P27338 4/20 0.64
P4HB P07237 1/20 0.59
HDAC1 Q13547 6/20 0.54
KCNH2 Q12809 1/20 0.53
HDAC2 Q92769 3/20 0.52
HDAC3 O15379 3/20 0.52
MAPK1 P28482 1/20 0.52
NCOR2 Q9Y618 1/20 0.51
TRPA1 O75762 1/20 0.51
TRPM8 Q7Z2W7 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
SCHEMBL4255384 1.00 PTGS1 (0.74) PTGS1CYP1A1CYP1B1MAOBP4HB
SCHEMBL4261187 0.89 HDAC1 (0.68) PTGS1CYP1B1MAOBHDAC1KCNH2
SCHEMBL4261184 0.89 HDAC1 (0.68) PTGS1CYP1B1MAOBHDAC1KCNH2
SCHEMBL4258375 0.85 MAOB (0.59) PTGS1CYP1B1MAOBHDAC1KCNH2
SCHEMBL4258378 0.85 MAOB (0.59) PTGS1CYP1B1MAOBHDAC1KCNH2
SCHEMBL4263628 0.82 HDAC1 (0.74) CYP1B1MAOBP4HBHDAC1KCNH2
SCHEMBL4263626 0.82 HDAC1 (0.74) CYP1B1MAOBP4HBHDAC1KCNH2
SCHEMBL1064700 0.81 HDAC1 (0.65) PTGS1HDAC1KCNH2HDAC2HDAC3
SCHEMBL1064701 0.81 HDAC1 (0.65) PTGS1HDAC1KCNH2HDAC2HDAC3
SCHEMBL11816722 0.80 CYP1A1 (0.87) CYP1A1CYP1B1MAOBP4HBHDAC1

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 PTGS1 1914/4885CYP1A1 4448/4885CYP1B1 4130/4885
US-20060020131-A1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents HDAC1, AADAC, HDAC11 PTGS1 1660/4885CYP1A1 1815/4885CYP1B1 2294/4885

“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.