SCHEMBL1566414

SCHEMBL1566414

O=C(NCc1ccc(C(=O)O)cc1)NCc1ccc2ccccc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.74
HDAC3 O15379 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC4 P56524 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
EPHX2 P34913 2/20 0.54
KMT2A Q03164 1/20 0.53
IDO1 P14902 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.51
MMP13 P45452 1/20 0.49
PTGES O14684 1/20 0.49
ALOX5 P09917 1/20 0.49

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
SCHEMBL1567228 0.85 SMN1; SMN2 (0.68) NR1H4HDAC2HDAC8HDAC6EPHX2
SCHEMBL7322242 0.85 NR1H4 (1.00) NR1H4HDAC3HDAC1HDAC2HDAC4
SCHEMBL1695082 0.80 NR1H4 (0.58) NR1H4HDAC3HDAC1HDAC2HDAC4
SCHEMBL1565797 0.80 NR1H4 (0.71) NR1H4HDAC3HDAC1HDAC2HDAC4
SCHEMBL27942197 0.80 NPC1 (0.64) NR1H4KMT2AIDO1SMN1; SMN2HTT
SCHEMBL27920877 0.80 NR1H4 (0.70) NR1H4HDAC3HDAC1HDAC2HDAC4
SCHEMBL7077351 0.79 MRGPRX4 (0.74) NR1H4HDAC6KMT2AMRGPRX4HTT
SCHEMBL9787292 0.78 LSS (0.70) NR1H4KMT2ASMN1; SMN2MRGPRX4HTT
SCHEMBL14894197 0.76 NR1H4 (0.85) NR1H4HDAC3HDAC1HDAC2HDAC4
SCHEMBL6194769 0.76 NR1H4 (0.78) NR1H4HDAC3HDAC1HDAC2HDAC4

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 5 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
CN-101633638-B Class I histone deacetylase inhibitor and application thereof JIANGSU GOWORTH INVEST CO LTD 2012-07-25 CN 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
CN-101633638-A Class I histone deacetylase inhibitor and application thereof JIANGSU GOWORTH INVEST CO LTD 2010-01-27 CN 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 NR1H4 1322/4885HDAC3 9/4885HDAC1 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.