SCHEMBL4145641

SCHEMBL4145641

CCC(C)(C)C1CCc2c(sc(NC(=O)c3ccncc3)c2C(N)=O)C1

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.82
KMT2A Q03164 4/20 0.82
PDE4B Q07343 3/20 0.82
PDE4D Q08499 2/20 0.82
ALDH1A1 P00352 8/20 0.73
HPGD P15428 5/20 0.73
KDM4E B2RXH2 2/20 0.73
GCGR P47871 1/20 0.68
POLB P06746 3/20 0.68
NPSR1 Q6W5P4 2/20 0.68
RAB9A P51151 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
NPC1 O15118 3/20 0.60
FLT3 P36888 2/20 0.60
LMNA P02545 1/20 0.59
MEN1 O00255 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ANO1 Q5XXA6 2/20 0.56
TP53 P04637 1/20 0.55

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
SCHEMBL21347427 0.90 MAPT (1.00) MAPTKMT2APDE4BPDE4DALDH1A1
SCHEMBL21346802 0.90 MAPT (1.00) MAPTKMT2APDE4BPDE4DALDH1A1
SCHEMBL8289821 0.83 MAPT (0.76) MAPTKMT2APDE4BPDE4DALDH1A1
SCHEMBL8290603 0.83 ALDH1A1 (0.72) MAPTKMT2APDE4BPDE4DALDH1A1
SCHEMBL3914253 0.81 ALDH1A1 (0.71) MAPTKMT2APDE4BPDE4DALDH1A1
SCHEMBL21260642 0.81 KMT2A (0.83) MAPTKMT2APDE4BPDE4DALDH1A1
SCHEMBL10036547 0.81 ALDH1A1 (1.00) MAPTKMT2APDE4BPDE4DALDH1A1
SCHEMBL21346962 0.81 MAPT (0.81) MAPTKMT2APDE4BPDE4DALDH1A1
SCHEMBL21346969 0.79 MAPT (0.79) MAPTKMT2APDE4BPDE4DALDH1A1
SCHEMBL3911800 0.79 GCGR (0.70) MAPTKMT2APDE4BPDE4DALDH1A1

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-20090143411-A1 Thiophens and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2009-06-04 US claimed
EP-1802634-A2 THIOPHENS AND THEIR USE AS ANTI-TUMOR AGENTS Compass Pharmaceuticals LLC (US) 2007-07-04 EP claimed
WO-2006044826-A2 THIOPHENS AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2006-04-27 WO claimed
US-20090143411-A1 Thiophens and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2009-06-04 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 (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-20090143411-A1 Thiophens and Their Use as Anti-Tumor Agents TP53, BRDT, VHL MAPT 1629/4885KMT2A 3189/4885PDE4B 2294/4885

“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.