SCHEMBL5457779

SCHEMBL5457779

NC(=O)c1c(NC(=O)c2cccnc2)sc2c1CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 1.00
ALDH1A1 P00352 7/20 1.00
NPC1 O15118 6/20 1.00
MAPT P10636 6/20 1.00
FLT3 P36888 4/20 1.00
POLB P06746 2/20 0.98
MEN1 O00255 2/20 0.80
KMT2A Q03164 2/20 0.80
KDM4E B2RXH2 2/20 0.80
TDP1 Q9NUW8 2/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
LMNA P02545 1/20 0.75
RCE1 Q9Y256 1/20 0.75
AMY1A P0DUB6 3/20 0.71
CASP3 P42574 1/20 0.71
SENP7 Q9BQF6 1/20 0.71
MGAM O43451 3/20 0.70
RORC P51449 2/20 0.68
GAA P10253 1/20 0.67

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
SCHEMBL5457818 0.86 FLT3 (1.00) RAB9AALDH1A1NPC1MAPTFLT3
SCHEMBL3128198 0.86 FLT3 (1.00) RAB9AALDH1A1NPC1MAPTFLT3
SCHEMBL8290375 0.85 MAPT (0.84) RAB9AALDH1A1NPC1MAPTFLT3
SCHEMBL8289672 0.84 FLT3 (0.97) RAB9AALDH1A1NPC1MAPTFLT3
SCHEMBL5453337 0.83 RAB9A (1.00) RAB9AALDH1A1NPC1MAPTFLT3
SCHEMBL3913279 0.83 MAPT (0.72) RAB9AALDH1A1NPC1MAPTFLT3
SCHEMBL21347432 0.83 RAB9A (0.78) RAB9AALDH1A1NPC1MAPTFLT3
SCHEMBL23850170 0.81 RORC (1.00) RAB9AALDH1A1NPC1MAPTFLT3
SCHEMBL23850798 0.81 RORC (1.00) RAB9AALDH1A1NPC1MAPTFLT3
SCHEMBL23850800 0.81 RORC (1.00) RAB9AALDH1A1NPC1MAPTFLT3

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 6 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
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 948/4885ALDH1A1 1153/4885NPC1 2627/4885

“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.