SCHEMBL3922433

SCHEMBL3922433

CC1CCc2c(sc(NC(=O)c3cccs3)c2C(N)=O)C1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.82
KMT2A Q03164 3/20 0.82
ALDH1A1 P00352 5/20 0.79
HPGD P15428 5/20 0.79
NPC1 O15118 5/20 0.79
RAB9A P51151 5/20 0.79
KDM4E B2RXH2 4/20 0.79
HSD17B10 Q99714 2/20 0.79
POLB P06746 1/20 0.79
L3MBTL1 Q9Y468 2/20 0.76
KIF11 P52732 4/20 0.74
NPSR1 Q6W5P4 1/20 0.74
TP53 P04637 2/20 0.68
LMNA P02545 1/20 0.68
ESR1 P03372 1/20 0.68
ALOX15 P16050 1/20 0.68
TSHR P16473 1/20 0.68
MAPK1 P28482 1/20 0.68
CASP1 P29466 1/20 0.68
HTT P42858 1/20 0.68

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
SCHEMBL3921416 0.90 MEN1 (1.00) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL2182372 0.84 TP53 (0.80) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL15281362 0.82 KMT2A (0.71) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL3914843 0.82 HPGD (0.98) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL8289821 0.82 MAPT (0.76) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL5449421 0.81 MEN1 (0.84) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL5449426 0.81 MEN1 (0.84) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL21346818 0.80 FLT3 (0.70) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL3916246 0.79 MAPT (0.78) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL5447380 0.78 MAPT (0.72) ALDH1A1HPGDNPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298842-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PATO JANOS 2009-12-03 US claimed
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections AXXIMA PHARMACEUTICALS AG (DE) 2009-01-15 US claimed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US claimed
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 EP claimed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 WO claimed
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor VICHEM CHEMIE KFT (HU) 2004-09-02 US claimed
US-20090298842-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PATO JANOS 2009-12-03 US disclosed
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections AXXIMA PHARMACEUTICALS AG (DE) 2009-01-15 US disclosed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US disclosed
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 EP disclosed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 WO disclosed
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor VICHEM CHEMIE KFT (HU) 2004-09-02 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 (4 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-20090298842-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, MASTL, BPGM MEN1 2985/4885KMT2A 3792/4885ALDH1A1 4718/4885
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents TBCA, PARK7, NFATC1 MEN1 2891/4885KMT2A 4785/4885ALDH1A1 1153/4885
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, PKN1, PKMYT1 MEN1 2405/4885KMT2A 3324/4885ALDH1A1 4655/4885
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections STK4, SBK3, STK17B MEN1 4022/4885KMT2A 4066/4885ALDH1A1 4146/4885

“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.