SCHEMBL3128198

SCHEMBL3128198

NC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 12/20 1.00
RAB9A P51151 8/20 1.00
NPC1 O15118 7/20 1.00
KMT2A Q03164 3/20 0.95
MEN1 O00255 2/20 0.95
CASP3 P42574 1/20 0.95
SENP7 Q9BQF6 1/20 0.95
ALDH1A1 P00352 3/20 0.79
MAPT P10636 3/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
POLB P06746 3/20 0.76
LMNA P02545 1/20 0.76
HPGD P15428 1/20 0.76
ESR2 Q92731 1/20 0.76
CTDSP1 Q9GZU7 1/20 0.76
TDP1 Q9NUW8 1/20 0.76
ANO1 Q5XXA6 1/20 0.74

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
SCHEMBL8289672 0.99 FLT3 (0.97) FLT3RAB9ANPC1KMT2AMEN1
SCHEMBL5453337 0.97 RAB9A (1.00) FLT3RAB9ANPC1KMT2AMEN1
SCHEMBL3916274 0.89 KMT2A (0.97) FLT3RAB9ANPC1KMT2AMEN1
SCHEMBL8290663 0.88 FLT3 (1.00) FLT3RAB9ANPC1KMT2AMEN1
SCHEMBL919352 0.88 MEN1 (1.00) FLT3RAB9ANPC1KMT2AMEN1
SCHEMBL5457818 0.87 FLT3 (1.00) FLT3RAB9ANPC1KMT2AMEN1
SCHEMBL8289526 0.87 RAB9A (0.95) FLT3RAB9ANPC1KMT2AMEN1
SCHEMBL8289853 0.87 FLT3 (0.97) FLT3RAB9ANPC1KMT2AMEN1
SCHEMBL5463079 0.87 FLT3 (1.00) FLT3RAB9ANPC1KMT2AMEN1
SCHEMBL8290923 0.87 RAB9A (0.80) FLT3RAB9ANPC1KMT2AMEN1

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 9 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-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. 2013-03-21 US disclosed
US-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. 2013-03-21 US disclosed
WO-2012154888-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. (US) 2012-11-15 WO disclosed
US-7696244-B2 Compounds having activity in increasing ion transport by mutant-CFTR and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-04-13 US disclosed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US disclosed
US-20070265316-A1 Compounds Having Activity in Increasing Ion Transport by Mutant-Cftr and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-15 US disclosed
WO-2004110352-A2 COMPOUNDS HAVING ACTIVITY IN INCREASING ION TRANSPORT BY MUTANT-CFTR AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-12-23 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 (3 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-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS HSPA5, PSMG3, VCP FLT3 4858/4885RAB9A 858/4885NPC1 809/4885
US-20070265316-A1 Compounds Having Activity in Increasing Ion Transport by Mutant-Cftr and Uses Thereof CFTR, SLC47A1, SLC47A2 FLT3 3065/4885RAB9A 2319/4885NPC1 438/4885
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents TBCA, PARK7, NFATC1 FLT3 3509/4885RAB9A 948/4885NPC1 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.