SCHEMBL20179230

SCHEMBL20179230

CNC(=S)NCCNC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.43
PAOX Q6QHF9 3/20 0.40
ADRA1A P35348 1/20 0.39
LMNA P02545 1/20 0.38
QPCT Q16769 1/20 0.36
F13A1 P00488 1/20 0.35
CNR1 P21554 1/20 0.35
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
HRH2 P25021 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
KMT2A Q03164 1/20 0.33

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
SCHEMBL861403 0.91 KDM4E (0.62) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL14192214 0.84 KDM4E (0.45) KDM4EMAPK1ALDH1A1LMNAQPCT
SCHEMBL11176210 0.79 KDM4E (0.46) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL8107 0.79 KDM4E (0.71) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL17037351 0.77
SCHEMBL4390993 0.75 KDM4E (0.52) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL4580302 0.75
SCHEMBL38663793 0.74 ZDHHC20 (0.48) KDM4EMAPK1TSHRALDH1A1LMNA
SCHEMBL955458 0.74
SCHEMBL11614887 0.73 KDM4E (0.50) KDM4EMAPK1HIF1ATSHRALDH1A1

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-20180141965-A1 AUTOTAXIN INHIBITORS AND USES THEREOF NATIONAL AND KAPODISTRIAN UNIVERSITY OF ATHENS (GR) 2018-05-24 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-20180141965-A1 AUTOTAXIN INHIBITORS AND USES THEREOF ENPP2, SPINT2, SERPINB1 KDM4E 3185/4885MAPK1 3567/4885HIF1A 4399/4885

“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.