SCHEMBL5453337

SCHEMBL5453337

NC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 1.00
NPC1 O15118 8/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
CASP3 P42574 1/20 1.00
SENP7 Q9BQF6 1/20 1.00
FLT3 P36888 11/20 0.95
MAPT P10636 3/20 0.81
POLB P06746 3/20 0.81
SMN1; SMN2 Q16637 2/20 0.81
LMNA P02545 1/20 0.81
HPGD P15428 1/20 0.81
ESR2 Q92731 1/20 0.81
CTDSP1 Q9GZU7 1/20 0.81
TDP1 Q9NUW8 1/20 0.81
ANO1 Q5XXA6 1/20 0.78
ALDH1A1 P00352 3/20 0.74
TP53 P04637 1/20 0.69

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
SCHEMBL3128198 0.97 FLT3 (1.00) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL8289672 0.96 FLT3 (0.97) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL8290923 0.90 RAB9A (0.80) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL21247366 0.89 RAB9A (1.00) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL8289437 0.88 FLT3 (0.95) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL8290928 0.87 FLT3 (0.76) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL8289830 0.87 FLT3 (0.95) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL3916274 0.86 KMT2A (0.97) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL8290663 0.86 FLT3 (1.00) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL8289414 0.86 FLT3 (0.96) RAB9ANPC1MEN1KMT2ACASP3

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 4 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
WO-2020252456-A1 NT5C2 INHIBITORS FOR THE TREATMENT OF CHEMOTHERAPY-RESISTANT ACUTE LYMPHOBLASTIC LEUKEMIA THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-12-17 WO disclosed
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 (1 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 RAB9A 948/4885NPC1 2627/4885MEN1 2891/4885

“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.