SCHEMBL4154525

SCHEMBL4154525

Nc1sc2c(c1C(=O)c1cccc(C(F)(F)F)c1)CCCCC2

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
MAPT P10636 7/20 0.67
HPGD P15428 4/20 0.64
LMNA P02545 2/20 0.64
GAA P10253 1/20 0.64
HSD17B10 Q99714 4/20 0.58
ADORA1 P30542 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
TDP1 Q9NUW8 1/20 0.55
KDM4E B2RXH2 3/20 0.50
ALOX15 P16050 3/20 0.50
MAPK1 P28482 1/20 0.50
USP2 O75604 1/20 0.48
CES2 O00748 1/20 0.48
ALOX12 P18054 1/20 0.47
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL137057 0.99 ALDH1A1 (0.68) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL3769768 0.84 TDP1 (0.69) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL4144407 0.81 ALDH1A1 (0.71) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL134682 0.81 TDP1 (0.65) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL4147685 0.81 ANO1 (0.64) MAPT
SCHEMBL5851585 0.81 ALDH1A1 (0.97) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL134129 0.80 ALDH1A1 (0.73) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL140059 0.80 MAPT (1.00) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL3773567 0.80 ALDH1A1 (0.73) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL1637546 0.79 ALDH1A1 (1.00) ALDH1A1MAPTHPGDLMNAGAA

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 ALDH1A1 1202/4885MAPT 1629/4885HPGD 2732/4885

“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.