SCHEMBL3914715

SCHEMBL3914715

NC(=O)c1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc2c1CCCC2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.74
NPC1 O15118 1/20 0.64
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
CCR6 P51684 1/20 0.61
RXFP1 Q9HBX9 1/20 0.60
ALDH1A1 P00352 3/20 0.59
LMNA P02545 3/20 0.59
MAPK10 P53779 1/20 0.59
HSD17B10 Q99714 1/20 0.59
PDE4B Q07343 1/20 0.59
PDE4D Q08499 1/20 0.59
MAPT P10636 6/20 0.57
MAPK8 P45983 1/20 0.57
TSHR P16473 1/20 0.57
GFER P55789 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
KDM4E B2RXH2 1/20 0.56
MAPK1 P28482 1/20 0.56
TP53 P04637 3/20 0.55

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
SCHEMBL13159104 0.85 NPC1 (0.60) FLT3NPC1MEN1KMT2ACCR6
SCHEMBL8290936 0.85 FLT3 (0.82) FLT3MEN1KMT2ARXFP1ALDH1A1
SCHEMBL5453222 0.85 FLT3 (1.00) FLT3NPC1MEN1KMT2ARXFP1
SCHEMBL5453629 0.85 PDE4B (0.65) FLT3NPC1MEN1KMT2ARXFP1
SCHEMBL8288670 0.84 FLT3 (0.80) FLT3NPC1MEN1KMT2ARXFP1
SCHEMBL5453184 0.83 CCR6 (0.60) FLT3NPC1MEN1KMT2ACCR6
SCHEMBL5449182 0.83 PDE4B (0.64) FLT3NPC1MEN1KMT2AALDH1A1
SCHEMBL3397867 0.83 NPC1 (0.58) FLT3NPC1MEN1KMT2ACCR6
SCHEMBL3397527 0.83 FLT3 (0.71) FLT3NPC1CCR6ALDH1A1LMNA
SCHEMBL8288812 0.83 FLT3 (0.79) FLT3NPC1MEN1KMT2ARXFP1

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 16 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
EP-1492783-A1 4,5,6,7-TRETRAHYDROBENZO(B) THIOPHENE DERIVATIVES AND METHODS FOR MEDICAL INTERVENTION AGAINST MYCROBACTERIAL INFECTIONS Axxima Pharmaceuticals AG (DE) 2005-01-05 EP 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
WO-2003084947-A1 4,5,6,7-TRETRAHYDROBENZO[B] THIOPHENE DERIVATIVES AND METHODS FOR MEDICAL INTERVENTION AGAINST MYCROBACTERIAL INFECTIONS AXXIMA PHARMACEUTICALS AG (DE) 2003-10-16 WO 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
EP-1492783-A1 4,5,6,7-TRETRAHYDROBENZO(B) THIOPHENE DERIVATIVES AND METHODS FOR MEDICAL INTERVENTION AGAINST MYCROBACTERIAL INFECTIONS Axxima Pharmaceuticals AG (DE) 2005-01-05 EP 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
WO-2003084947-A1 4,5,6,7-TRETRAHYDROBENZO[B] THIOPHENE DERIVATIVES AND METHODS FOR MEDICAL INTERVENTION AGAINST MYCROBACTERIAL INFECTIONS AXXIMA PHARMACEUTICALS AG (DE) 2003-10-16 WO 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 FLT3 1858/4885NPC1 2190/4885MEN1 2985/4885
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents TBCA, PARK7, NFATC1 FLT3 3509/4885NPC1 2627/4885MEN1 2891/4885
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, PKN1, PKMYT1 FLT3 1906/4885NPC1 2378/4885MEN1 2405/4885
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections STK4, SBK3, STK17B FLT3 832/4885NPC1 3248/4885MEN1 4022/4885

“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.