SCHEMBL5515211

SCHEMBL5515211

Nc1ccccc1NC(=O)c1ccc(C(=O)/C=C/c2cccnc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.78
NAMPT P43490 3/20 0.78
HDAC3 O15379 4/20 0.63
HDAC2 Q92769 4/20 0.63
CYP1A2 P05177 4/20 0.60
CYP1A1 P04798 3/20 0.60
CYP1B1 Q16678 3/20 0.60
MAPT P10636 3/20 0.60
KMT2A Q03164 3/20 0.60
RAB9A P51151 2/20 0.60
PFKFB3 Q16875 1/20 0.59
LMNA P02545 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MEN1 O00255 1/20 0.56
GALR2 O43603 1/20 0.56
HPGD P15428 1/20 0.56
RECQL P46063 1/20 0.56

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
SCHEMBL4256955 1.00 HDAC1 (0.78) HDAC1NAMPTHDAC3HDAC2CYP1A2
SCHEMBL28410554 0.88 HDAC1 (1.00) HDAC1NAMPTHDAC3HDAC2RAB9A
SCHEMBL28161757 0.87 HDAC1 (0.73) HDAC1NAMPTHDAC3HDAC2HDAC4
SCHEMBL16892137 0.84 HDAC1 (1.00) HDAC1NAMPTHDAC3HDAC2CYP3A4
SCHEMBL4261187 0.83 HDAC1 (0.68) HDAC1NAMPTHDAC3HDAC2CYP1B1
SCHEMBL4261184 0.83 HDAC1 (0.68) HDAC1NAMPTHDAC3HDAC2CYP1B1
SCHEMBL25722340 0.83 HDAC1 (0.77) HDAC1NAMPTHDAC3HDAC2MAPT
SCHEMBL8255966 0.82 HDAC1 (0.66) HDAC1NAMPTHDAC3HDAC2CYP1A2
SCHEMBL13479662 0.81 RAB9A (0.88) CYP1A2CYP1A1CYP1B1MAPTKMT2A
SCHEMBL24086662 0.81 HDAC1 (0.79) HDAC1NAMPTHDAC3HDAC2HDAC4

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 6 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-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-7282608-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2007-10-16 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 HDAC1 1/4885NAMPT 214/4885HDAC3 5/4885
US-20060020131-A1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents HDAC1, AADAC, HDAC11 HDAC1 1/4885NAMPT 351/4885HDAC3 6/4885

“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.