SCHEMBL3914843

SCHEMBL3914843

NC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 7/20 0.98
▸ HSD17B10 Q99714 6/20 0.98
▸ MEN1 O00255 4/20 0.98
▸ LMNA P02545 4/20 0.98
▸ KMT2A Q03164 4/20 0.98
▸ SMN1; SMN2 Q16637 4/20 0.98
▸ ALDH1A1 P00352 4/20 0.98
▸ NPC1 O15118 4/20 0.98
▸ MAPK1 P28482 4/20 0.98
▸ CASP1 P29466 4/20 0.98
▸ CASP7 P55210 4/20 0.98
▸ RAB9A P51151 3/20 0.98
▸ TP53 P04637 2/20 0.98
▸ KDM4E B2RXH2 2/20 0.98
▸ ESR1 P03372 1/20 0.98
▸ ALOX15 P16050 1/20 0.98
▸ TSHR P16473 1/20 0.98
▸ HTT P42858 1/20 0.98
▸ MAPT P10636 4/20 0.80
▸ POLB P06746 1/20 0.80

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
SCHEMBL3918724 0.89 HPGD (1.00) HPGDHSD17B10MEN1LMNAKMT2A
SCHEMBL12443131 0.82 TP53 (0.80) HPGDHSD17B10MEN1LMNAKMT2A
SCHEMBL3922433 0.82 MEN1 (0.82) HPGDHSD17B10MEN1LMNAKMT2A
SCHEMBL21067808 0.82 KIF11 (1.00) HPGDHSD17B10MEN1LMNAKMT2A
SCHEMBL4150336 0.81 SMN1; SMN2 (0.71) HPGDHSD17B10MEN1LMNAKMT2A
SCHEMBL3128198 0.81 FLT3 (1.00) HPGDMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL24489158 0.81 CFTR (0.74) HPGDHSD17B10MEN1LMNAKMT2A
SCHEMBL24490597 0.81 CFTR (1.00) HPGDHSD17B10MEN1LMNAKMT2A
SCHEMBL8289672 0.80 FLT3 (0.97) HPGDMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL5457818 0.79 FLT3 (1.00) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1

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 14 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
EP-1294707-A2 THIOPHENE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-03-26 — — EP claimed
WO-2001098290-A2 THIOPHENE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2001-12-27 — — 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
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 HPGD 964/4885HSD17B10 4508/4885MEN1 2985/4885
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents TBCA, PARK7, NFATC1 HPGD 2361/4885HSD17B10 635/4885MEN1 2891/4885
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, PKN1, PKMYT1 HPGD 852/4885HSD17B10 4186/4885MEN1 2405/4885
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections STK4, SBK3, STK17B HPGD 2459/4885HSD17B10 2635/4885MEN1 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.

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