SCHEMBL4154537

SCHEMBL4154537

COc1ccc(C(=O)Nc2sc(C)c(-c3ccccc3)c2C(N)=O)cc1N(O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.59
HPGD P15428 8/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
KDM4E B2RXH2 7/20 0.59
LMNA P02545 3/20 0.59
MAPT P10636 3/20 0.59
FLT3 P36888 5/20 0.59
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RECQL P46063 1/20 0.49
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
XBP1 P17861 1/20 0.47
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
TP53 P04637 1/20 0.43
CASP1 P29466 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL4154548 0.83 ALDH1A1 (0.60) ALDH1A1HPGDSMN1; SMN2KDM4ELMNA
SCHEMBL7002672 0.74 FLT3 (1.00) ALDH1A1HPGDSMN1; SMN2KDM4ELMNA
SCHEMBL4140799 0.72 GAA (0.59) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL6998742 0.71 FLT3 (0.83) ALDH1A1HPGDSMN1; SMN2KDM4ELMNA
SCHEMBL21247046 0.70 ALDH1A1 (0.66) ALDH1A1HPGDSMN1; SMN2KDM4ELMNA
SCHEMBL14059144 0.68 TBK1 (0.82) ALDH1A1HPGDSMN1; SMN2KDM4ELMNA
SCHEMBL21247226 0.66 KDR (0.55) ALDH1A1HPGDSMN1; SMN2KDM4ELMNA
SCHEMBL29766887 0.66 FLT3 (1.00) ALDH1A1HPGDKDM4EMAPTFLT3
SCHEMBL8290405 0.66 FLT3 (1.00) ALDH1A1HPGDKDM4EMAPTFLT3
SCHEMBL3387137 0.66 ALDH1A1 (0.67) ALDH1A1HPGDSMN1; SMN2KDM4ELMNA

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
US-20090143411-A1 Thiophens and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2009-06-04 US disclosed
EP-1802634-A2 THIOPHENS AND THEIR USE AS ANTI-TUMOR AGENTS Compass Pharmaceuticals LLC (US) 2007-07-04 EP disclosed
WO-2006044826-A2 THIOPHENS AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2006-04-27 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-20090143411-A1 Thiophens and Their Use as Anti-Tumor Agents TP53, BRDT, VHL ALDH1A1 1202/4885HPGD 2732/4885SMN1; SMN2 155/4885

“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.