SCHEMBL3923490

SCHEMBL3923490

NC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 10/20 1.00
▸ NPC1 O15118 8/20 0.79
▸ RAB9A P51151 8/20 0.79
▸ MAPT P10636 7/20 0.79
▸ MEN1 O00255 5/20 0.79
▸ KMT2A Q03164 5/20 0.79
▸ SMN1; SMN2 Q16637 4/20 0.79
▸ L3MBTL1 Q9Y468 2/20 0.79
▸ HTT P42858 1/20 0.79
▸ RECQL P46063 1/20 0.79
▸ TDP1 Q9NUW8 1/20 0.79
▸ LMNA P02545 3/20 0.74
▸ EIF4H Q15056 1/20 0.74
▸ ALDH1A1 P00352 3/20 0.70
▸ POLB P06746 3/20 0.70
▸ HPGD P15428 2/20 0.70
▸ KDM4E B2RXH2 2/20 0.70
▸ NR0B1 P51843 1/20 0.70
▸ ALOX15 P16050 1/20 0.56
▸ TSHR P16473 1/20 0.56

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
SCHEMBL3923491 1.00 FLT3 (1.00) FLT3NPC1RAB9AMAPTMEN1
SCHEMBL5455830 0.82 FLT3 (1.00) FLT3NPC1RAB9AMAPTMEN1
SCHEMBL5455833 0.82 FLT3 (1.00) FLT3NPC1RAB9AMAPTMEN1
SCHEMBL5457944 0.79 MAPT (0.69) FLT3NPC1RAB9AMAPTMEN1
SCHEMBL5453296 0.79 FLT3 (1.00) FLT3NPC1RAB9AMAPTMEN1
SCHEMBL5457914 0.77 FLT3 (0.70) FLT3NPC1RAB9AMAPTMEN1
SCHEMBL5457913 0.77 FLT3 (0.70) FLT3NPC1RAB9AMAPTMEN1
SCHEMBL8290734 0.77 HPGD (1.00) FLT3NPC1RAB9AMAPTMEN1
SCHEMBL8289714 0.76 FLT3 (0.69) FLT3NPC1RAB9AMAPTMEN1
SCHEMBL1080717 0.76 SMN1; SMN2 (0.63) FLT3NPC1RAB9AMAPTMEN1

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 2190/4885RAB9A 1832/4885
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents TBCA, PARK7, NFATC1 FLT3 3509/4885NPC1 2627/4885RAB9A 948/4885
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, PKN1, PKMYT1 FLT3 1906/4885NPC1 2378/4885RAB9A 2377/4885
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 3248/4885RAB9A 2511/4885

“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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