SCHEMBL5453296

SCHEMBL5453296

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 1.00
ALDH1A1 P00352 13/20 0.95
HPGD P15428 11/20 0.95
MAPT P10636 10/20 0.95
RAB9A P51151 6/20 0.95
NPC1 O15118 6/20 0.95
SMN1; SMN2 Q16637 5/20 0.95
MEN1 O00255 5/20 0.79
KMT2A Q03164 5/20 0.79
TP53 P04637 3/20 0.79
USP2 O75604 2/20 0.79
LMNA P02545 1/20 0.79
PKM P14618 1/20 0.77
POLB P06746 1/20 0.73
GAA P10253 2/20 0.72
KDM4E B2RXH2 10/20 0.72
CYP1A2 P05177 1/20 0.72
CYP3A4 P08684 1/20 0.72
CYP2C9 P11712 1/20 0.72
CYP2C19 P33261 1/20 0.72

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
SCHEMBL8290734 0.98 HPGD (1.00) FLT3ALDH1A1HPGDMAPTRAB9A
SCHEMBL3913354 0.85 HPGD (0.78) FLT3ALDH1A1HPGDMAPTRAB9A
SCHEMBL5460090 0.85 ALDH1A1 (0.74) FLT3ALDH1A1HPGDMAPTRAB9A
SCHEMBL8288728 0.84 ALDH1A1 (1.00) FLT3ALDH1A1HPGDMAPTRAB9A
SCHEMBL3916266 0.83 NPC1 (1.00) FLT3ALDH1A1HPGDMAPTRAB9A
SCHEMBL5449432 0.82 ALDH1A1 (1.00) FLT3ALDH1A1HPGDMAPTRAB9A
SCHEMBL16210883 0.82 KIF11 (0.98) FLT3ALDH1A1HPGDMAPTRAB9A
SCHEMBL16211025 0.82 ALDH1A1 (0.72) FLT3ALDH1A1HPGDMAPTRAB9A
SCHEMBL17916667 0.81 HPGD (0.70) FLT3ALDH1A1HPGDMAPTRAB9A
SCHEMBL8290847 0.81 NPC1 (0.80) FLT3ALDH1A1HPGDMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US disclosed
WO-2005033102-A2 THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-04-14 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 (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 3509/4885ALDH1A1 1153/4885HPGD 2361/4885
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, PKN1, PKMYT1 FLT3 1906/4885ALDH1A1 4655/4885HPGD 852/4885

“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.