SCHEMBL2734436

SCHEMBL2734436

[C-]#[N+]c1c(NC(C)=O)sc(Cc2ccc(C(=O)O)cc2)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HK1 P19367 1/20 0.50
CYP2C19 P33261 1/20 0.50
HKDC1 Q2TB90 1/20 0.50
KDM4E B2RXH2 7/20 0.41
HPGD P15428 6/20 0.41
ALDH1A1 P00352 12/20 0.41
KMT2A Q03164 7/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2A1 P68400 1/20 0.40
LMNA P02545 5/20 0.39
SRD5A2 P31213 1/20 0.39
MEN1 O00255 6/20 0.38
HTT P42858 2/20 0.38
GAA P10253 3/20 0.38
POLB P06746 3/20 0.38

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
SCHEMBL2734438 0.81 HDAC1 (0.45) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2734086 0.80 ALDH1A1 (0.48) MAPTKDM4EHPGDALDH1A1KMT2A
SCHEMBL1064297 0.79 MAPT (0.50) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2733478 0.77 ATM (0.39) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12934053 0.73 KMT2A (0.46) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14424420 0.69 SRD5A2 (0.41) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8290398 0.68 ALDH1A1 (0.77) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29848240 0.67 TSHR (0.65) MAPTCYP2C9KDM4EHPGDALDH1A1
SCHEMBL211404 0.63 ALDH1A1 (0.48) MAPTKDM4EHPGDALDH1A1KMT2A
SCHEMBL68390 0.62 SRD5A2 (0.69) ALDH1A1KMT2ALMNASRD5A2ALOX15

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-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 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 (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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 MAPT 3612/4885CYP1A2 4230/4885CYP3A4 4595/4885

“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.