SCHEMBL8329416

SCHEMBL8329416

CC(C)(C)OC(=O)NCCCc1nc2ccccc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.66
HTT P42858 2/20 0.58
POLB P06746 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 3/20 0.56
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPT P10636 3/20 0.52
THRB P10828 1/20 0.52
ALDH1A1 P00352 2/20 0.51
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL6304380 0.93 BCHE (0.69) BCHEHTTSMN1; SMN2LMNACYP1A2
SCHEMBL2086623 0.87 BCHE (0.62) BCHEHTTPOLBSMN1; SMN2LMNA
SCHEMBL5144365 0.86 BCHE (0.61) BCHEHTTPOLBSMN1; SMN2LMNA
SCHEMBL6297783 0.85 BCHE (0.65) BCHEHTTPOLBSMN1; SMN2LMNA
SCHEMBL19540734 0.84 BCHE (0.64) BCHEHTTSMN1; SMN2LMNACYP1A2
SCHEMBL15173223 0.83 BRD4 (0.49) BCHEHTTPOLBCYP1A2CYP2C9
SCHEMBL5146214 0.83 BCHE (0.57) BCHEHTTPOLBSMN1; SMN2LMNA
SCHEMBL4640990 0.82 BCHE (0.87) BCHESMN1; SMN2LMNAALDH1A1
SCHEMBL13405878 0.82 HTT (0.84) HTTPOLBSMN1; SMN2LMNAKDM4E
SCHEMBL10721736 0.82 BCHE (0.55) BCHEHTTSMN1; SMN2LMNACYP1A2

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
EP-2670733-B1 N-HYDROXYBENZAMIDE DERIVATIVES AS HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV ILLINOIS (US) 2019-04-10 EP disclosed
US-20140128408-A1 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-05-08 US disclosed
US-20140128408-A1 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-05-08 US disclosed
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO 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-20140128408-A1 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME HDAC1, HDAC9, HDAC8 BCHE 1019/4885HTT 134/4885POLB 1923/4885

“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.