SCHEMBL4140794

SCHEMBL4140794

O=c1c2ccccc2nc(C(F)(F)F)n1-c1ccc(Cl)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
KMT2A Q03164 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
GAA P10253 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
CYP2C19 P33261 1/20 0.57
HSD17B10 Q99714 1/20 0.57
PTGS2 P35354 3/20 0.53
HTR6 P50406 1/20 0.50
PDE10A Q9Y233 1/20 0.50
JUN P05412 2/20 0.49

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
SCHEMBL16416583 0.90 NPC1 (0.54) SMN1; SMN2KMT2AALDH1A1KDM4EMEN1
SCHEMBL7016812 0.82 TP53 (0.46) SMN1; SMN2KMT2AALDH1A1KDM4EMEN1
SCHEMBL4391482 0.78 MAPK1 (0.70) SMN1; SMN2KMT2ANPSR1ALDH1A1KDM4E
SCHEMBL2566270 0.76 ALDH1A1 (0.51) SMN1; SMN2KMT2ANPSR1ALDH1A1KDM4E
SCHEMBL4394311 0.76 PDE10A (0.63) SMN1; SMN2KMT2ANPSR1ALDH1A1KDM4E
SCHEMBL6281164 0.75 SMN1; SMN2 (0.60) SMN1; SMN2KMT2ANPSR1ALDH1A1KDM4E
SCHEMBL3424745 0.75 PDE10A (0.62) SMN1; SMN2KMT2ANPSR1ALDH1A1KDM4E
SCHEMBL1101909 0.75 LMNA (0.72) SMN1; SMN2KMT2ANPSR1ALDH1A1KDM4E
SCHEMBL7762374 0.75 PDE7A (0.58) SMN1; SMN2ALDH1A1KDM4EGAAHPGD
SCHEMBL7018385 0.74 TP53 (0.46) SMN1; SMN2KMT2AALDH1A1MEN1MAPK1

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 SMN1; SMN2 155/4885KMT2A 3189/4885NPSR1 2477/4885

“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.