SCHEMBL3016740

SCHEMBL3016740

COC(=O)c1[nH]c(C(=O)NCCN2CCCC2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
HSD17B10 Q99714 2/20 0.52
HTR4 Q13639 3/20 0.51
RHEB Q15382 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 0.43
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DRD4 P21917 1/20 0.43

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
SCHEMBL3033205 0.81 HPGD (0.43) KDM4EHSD17B10POLBALDH1A1
SCHEMBL27785580 0.76 KDM4E (0.49) KDM4EHSD17B10HTR4RHEBSMN1; SMN2
SCHEMBL3024598 0.73 SMYD3 (0.44) HTR4
SCHEMBL9452327 0.71 RHEB (0.61) KDM4EHSD17B10RHEBALDH1A1MEN1
SCHEMBL26686587 0.71 KDM4E (0.55) KDM4EHSD17B10RHEBALDH1A1MAPT
SCHEMBL30633400 0.71 KDM4E (0.55) KDM4EHSD17B10RHEBALDH1A1MAPT
Hydrochloric Acid SCHEMBL9452373 0.70 RHEB (0.60) KDM4EHSD17B10RHEBALDH1A1MEN1
SCHEMBL8441019 0.70 SMN1; SMN2 (0.62) KDM4EHSD17B10SMN1; SMN2POLBALDH1A1
SCHEMBL3031984 0.70 CYP1A2 (0.40) KDM4EHSD17B10RHEBALDH1A1MAPT
SCHEMBL3029318 0.70 NGFR (0.42) KDM4ERHEBSMN1; SMN2ALDH1A1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
EP-2166856-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2010-03-31 EP disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 KDM4E 1070/4885HSD17B10 761/4885HTR4 3561/4885

“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.