SCHEMBL12562437

SCHEMBL12562437

CC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.81
ALDH1A1 P00352 10/20 0.81
HPGD P15428 8/20 0.81
GAA P10253 7/20 0.81
RXFP1 Q9HBX9 7/20 0.78
MAPT P10636 11/20 0.77
MAPK1 P28482 2/20 0.77
HSD17B10 Q99714 3/20 0.74
NPSR1 Q6W5P4 2/20 0.74
GLA P06280 3/20 0.71
TSHR P16473 1/20 0.71
HTT P42858 3/20 0.68
USP2 O75604 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
RCE1 Q9Y256 1/20 0.65
POLB P06746 1/20 0.63
ATM Q13315 1/20 0.61
LMNA P02545 1/20 0.61
HIF1A Q16665 1/20 0.61

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
SCHEMBL427370 0.90 KDM4E (1.00) KDM4EALDH1A1HPGDGAARXFP1
SCHEMBL20467123 0.82 KDM4E (0.67) KDM4EALDH1A1HPGDGAARXFP1
SCHEMBL23657476 0.78 MEN1 (0.82) KDM4EALDH1A1HPGDGAARXFP1
SCHEMBL19805083 0.77 KDM4E (0.80) KDM4EALDH1A1HPGDGAARXFP1
SCHEMBL4053028 0.77 KDM4E (0.72) KDM4EALDH1A1HPGDGAARXFP1
SCHEMBL14110617 0.76 IKBKB (0.83) KDM4EALDH1A1HPGDGAARXFP1
SCHEMBL426279 0.75 KDM4E (1.00) KDM4EALDH1A1HPGDGAARXFP1
SCHEMBL14955316 0.75 KDM4E (0.85) KDM4EALDH1A1HPGDGAARXFP1
SCHEMBL5013124 0.74 KDM4E (0.73) KDM4EALDH1A1HPGDGAARXFP1
SCHEMBL26780451 0.74 KDM4E (0.94) KDM4EALDH1A1HPGDGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152301-A1 Compounds that Inhibit HIV Particle Formation UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-06-23 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-20110152301-A1 Compounds that Inhibit HIV Particle Formation REV1, VPS51, FLOT1 KDM4E 3600/4885ALDH1A1 3746/4885HPGD 2465/4885

“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.