SCHEMBL5453576

SCHEMBL5453576

NC(=O)c1c(NC(=O)c2ccccn2)sc2c1CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 8/20 1.00
RAB9A P51151 11/20 0.73
NPC1 O15118 10/20 0.73
ALDH1A1 P00352 5/20 0.73
MAPT P10636 4/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
HPGD P15428 2/20 0.72
CFTR P13569 1/20 0.68
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
CASP3 P42574 1/20 0.67
SENP7 Q9BQF6 1/20 0.67
POLB P06746 2/20 0.66
RORC P51449 1/20 0.62
KDM4E B2RXH2 2/20 0.61
LMNA P02545 1/20 0.61
ESR1 P03372 1/20 0.61
TP53 P04637 1/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.61

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
SCHEMBL5455700 0.85 RAB9A (1.00) FLT3RAB9ANPC1ALDH1A1MAPT
SCHEMBL3128198 0.83 FLT3 (1.00) FLT3RAB9ANPC1ALDH1A1MAPT
SCHEMBL21346818 0.82 FLT3 (0.70) FLT3RAB9ANPC1ALDH1A1MAPT
SCHEMBL8289672 0.81 FLT3 (0.97) FLT3RAB9ANPC1ALDH1A1MAPT
SCHEMBL3110880 0.81 CFTR (1.00) FLT3RAB9ANPC1HPGDCFTR
SCHEMBL5457818 0.81 FLT3 (1.00) FLT3RAB9ANPC1ALDH1A1MAPT
SCHEMBL5453337 0.80 RAB9A (1.00) FLT3RAB9ANPC1ALDH1A1MAPT
SCHEMBL5453533 0.80 FLT3 (0.67) FLT3RAB9ANPC1ALDH1A1MAPT
SCHEMBL21347806 0.80 MAPT (0.72) FLT3RAB9ANPC1ALDH1A1MAPT
SCHEMBL8288764 0.80 FLT3 (0.78) FLT3RAB9ANPC1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 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-20210040074-A1 POSITIVE ALLOSTERIC MODULATORS OF DOPAMINE 1 RECEPTOR AND METHOD OF USE THEREOF THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-02-11 US disclosed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents TBCA, PARK7, NFATC1 FLT3 3509/4885RAB9A 948/4885NPC1 2627/4885
US-20210040074-A1 POSITIVE ALLOSTERIC MODULATORS OF DOPAMINE 1 RECEPTOR AND METHOD OF USE THEREOF CHRM1, MTNR1A, CHRNA3 FLT3 3940/4885RAB9A 355/4885NPC1 3039/4885

“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.