SCHEMBL4136987

SCHEMBL4136987

COc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCCCCC2

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.98
FLT3 P36888 7/20 0.74
NPC1 O15118 5/20 0.69
RAB9A P51151 4/20 0.69
CFTR P13569 1/20 0.69
MEN1 O00255 3/20 0.69
RECQL P46063 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.66
KDM4E B2RXH2 2/20 0.65
ALDH1A1 P00352 2/20 0.65
GAA P10253 1/20 0.65
HPGD P15428 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
PDE4B Q07343 1/20 0.64
PDE4D Q08499 1/20 0.64
MAPT P10636 2/20 0.63
LMNA P02545 1/20 0.62
ALOX15 P16050 1/20 0.62
TSHR P16473 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62

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
SCHEMBL4138685 0.86 MAPT (0.75) KMT2AFLT3NPC1RAB9ACFTR
SCHEMBL5453093 0.85 FLT3 (1.00) KMT2AFLT3NPC1RAB9ACFTR
SCHEMBL20710964 0.84 KMT2A (0.74) KMT2AFLT3NPC1RAB9ACFTR
SCHEMBL12218351 0.83 NPC1 (0.98) KMT2AFLT3NPC1RAB9ACFTR
SCHEMBL8288833 0.83 KMT2A (0.72) KMT2AFLT3NPC1RAB9ACFTR
SCHEMBL5460003 0.83 FLT3 (0.78) KMT2AFLT3NPC1RAB9ACFTR
SCHEMBL8288764 0.83 FLT3 (0.78) KMT2AFLT3NPC1RAB9ACFTR
SCHEMBL22095967 0.83 FLT3 (1.00) KMT2AFLT3RAB9AMEN1RECQL
SCHEMBL3110880 0.82 CFTR (1.00) KMT2AFLT3NPC1RAB9ACFTR
SCHEMBL29766887 0.81 FLT3 (1.00) KMT2AFLT3RAB9AMEN1RECQL

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-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
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 KMT2A 3189/4885FLT3 2967/4885NPC1 4799/4885

“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.