SCHEMBL1567095

SCHEMBL1567095

NC(=O)N(Cc1ccc(C(=O)O)cc1)Cc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
HDAC1 Q13547 1/20 0.50
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
ALDH1A1 P00352 5/20 0.47
NAPRT Q6XQN6 1/20 0.46
GAA P10253 2/20 0.46
APP P05067 1/20 0.46
HCAR3 P49019 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
PKM P14618 1/20 0.45
TBXAS1 P24557 4/20 0.44
GRM2 Q14416 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44

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
SCHEMBL3775280 0.84 HDAC1 (0.56) KMT2AHDAC1MKNK1MKNK2ALDH1A1
SCHEMBL25378385 0.78 KMT2A (0.58) KMT2AHDAC1ALDH1A1NAPRTGAA
SCHEMBL30482084 0.78 KMT2A (0.58) KMT2AHDAC1ALDH1A1NAPRTGAA
SCHEMBL28596953 0.78 HDAC1 (0.56) KMT2AHDAC1ALDH1A1NAPRTPKM
SCHEMBL5353235 0.78 TBXAS1 (0.62) MKNK1MKNK2ALDH1A1NAPRTGAA
Aminomethylbenzoic Acid SCHEMBL5211981 0.78 MKNK1 (0.54) MKNK1MKNK2ALDH1A1NAPRTGAA
SCHEMBL1566548 0.78 HDAC1 (0.58) KMT2AHDAC1
SCHEMBL8996251 0.77 TBXAS1 (0.58) KMT2AMKNK1MKNK2ALDH1A1NAPRT
SCHEMBL11067952 0.77 TBXAS1 (0.67) MKNK1MKNK2ALDH1A1NAPRTGAA
SCHEMBL20236358 0.77 POLB (0.50) KMT2AHDAC1ALDH1A1GAA

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-8889876-B2 Histone deacetylase inhibitors and uses thereof JIANGSU HENGYI PHARMACEUTICAL CO., LTD. (CN) 2014-11-18 US disclosed
US-20110152323-A1 Histone deacetylase inhibitors and uses thereof JIANGSU GOWORTH INVESTMENT CO. LTD (CN) 2011-06-23 US disclosed
EP-2308868-A1 HISTONE DEACETYLASE INHIBITORS AND USES THEREOF Jiangsu Goworth Investment Co. Ltd (CN) 2011-04-13 EP 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-20110152323-A1 Histone deacetylase inhibitors and uses thereof HDAC1, HDAC11, HDAC5 KMT2A 45/4885HDAC1 1/4885MKNK1 620/4885

“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.