SCHEMBL20185387

SCHEMBL20185387

CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCc1c(C(N)=O)c(CCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC)c(C(N)=O)c(CCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC)c1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.43
THRB P10828 4/20 0.43
ICMT O60725 2/20 0.40
ALB P02768 2/20 0.40
KDM5A P29375 3/20 0.40
PHF8 Q9UPP1 2/20 0.40
KDM4C Q9H3R0 1/20 0.40
KCNH2 Q12809 4/20 0.39
MCHR1 Q99705 1/20 0.36
DRD2 P14416 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
GPR35 Q9HC97 1/20 0.35
SCD O00767 1/20 0.35
MEN1 O00255 1/20 0.35
APAF1 O14727 1/20 0.35
RGS12 O14924 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL25252028 0.97 THRA (0.40) THRATHRBICMTALBKDM5A
SCHEMBL17688581 0.89 SCD (0.41) OPRK1GPR35SCDMEN1APAF1
SCHEMBL28737637 0.89 SCD (0.41) OPRK1GPR35SCDMEN1APAF1
SCHEMBL27708958 0.89 SCD (0.41) OPRK1GPR35SCDMEN1APAF1
SCHEMBL14812641 0.83 CYP1A2 (0.38) THRATHRBCA12CA1CA2
SCHEMBL14812852 0.83 CYP1A2 (0.38) THRATHRBCA12CA1CA2
SCHEMBL28068926 0.77 FFAR1 (0.43) MEN1APAF1RGS12HSP90AA1MAPK1
SCHEMBL28825742 0.76 MEN1 (0.43) OPRK1GPR35MEN1APAF1RGS12
SCHEMBL28049646 0.76 MEN1 (0.43) OPRK1GPR35MEN1APAF1RGS12
SCHEMBL14815952 0.76 MEN1 (0.43) OPRK1GPR35MEN1APAF1RGS12

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-20180147166-A1 BENZENE-1,3,5-TRICARBOXAMIDE DERIVATIVES AND USES THEREOF OHIO STATE INNOVATION FOUNDATION 2018-05-31 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-20180147166-A1 BENZENE-1,3,5-TRICARBOXAMIDE DERIVATIVES AND USES THEREOF POLRMT, POLN, MTREX THRA 2078/4885THRB 2830/4885ICMT 4682/4885

“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.