SCHEMBL6835175

SCHEMBL6835175

NC(=O)c1cn2c3c(cccc3c1=O)SCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 3/20 0.36
ADRA2B P18089 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PARP1 P09874 3/20 0.36
PDE4A P27815 1/20 0.35
NOTUM Q6P988 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
BCL2L1 Q07817 1/20 0.33
MAPT P10636 2/20 0.33
BCL2 P10415 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
RYR2 Q92736 2/20 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
SCHEMBL8775388 0.88 MCL1 (0.49) MCL1KDM4EADRA2BMAPK1ALDH1A1
SCHEMBL25600150 0.81 MCL1 (0.52) MCL1KDM4EADRA2BMAPK1ALDH1A1
SCHEMBL6837082 0.77 MEN1 (0.41) MEN1KMT2APARP1PDE4AHTR2A
SCHEMBL6834197 0.76 MEN1 (0.39) MCL1MEN1KMT2AKDM4EMAPK1
SCHEMBL9746697 0.75 HTR2A (0.51) MCL1MEN1KMT2AALDH1A1HPGD
SCHEMBL6325566 0.74 MCL1 (0.43) MCL1KDM4EMAPK1ALDH1A1HSD17B10
SCHEMBL6835431 0.74 PARP1 (0.49) MEN1KMT2AKDM4EPARP1PDE4A
SCHEMBL7258425 0.74 MCL1 (0.42) MCL1MEN1KMT2APARP1
SCHEMBL19779451 0.73 MCL1 (0.45) MCL1KDM4EPARP1MAPTBCL2
SCHEMBL6838299 0.73 MEN1 (0.43) MCL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040029879-A1 Heterocycle carboxamides as antiviral agents ANDERSON DAVID JOHN (US) 2004-02-12 US disclosed
US-6624159-B2 Herpes virus PHARMACIA & UPJOHN COMPANY 2003-09-23 US disclosed
US-20020025959-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-28 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 (2 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-20040029879-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 MCL1 313/4885MEN1 2250/4885KMT2A 993/4885
US-20020025959-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 MCL1 313/4885MEN1 2250/4885KMT2A 993/4885

“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.