SCHEMBL4131893

SCHEMBL4131893

O=c1c2c3c(sc2nc(C(F)(F)F)n1-c1cc(Cl)cc(Cl)c1)CCCCC3

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 4/20 0.48
MAPT P10636 3/20 0.48
NPC1 O15118 2/20 0.48
HPGD P15428 2/20 0.48
RAB9A P51151 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ALOX15 P16050 1/20 0.48
POLB P06746 4/20 0.47
GAA P10253 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 3/20 0.46
CASP1 P29466 1/20 0.46
BRAF P15056 2/20 0.44
KDR P35968 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL4138842 0.90 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL4144374 0.90 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL4147430 0.89 MAPT (0.51) ALDH1A1SMN1; SMN2LMNAMAPTPOLB
SCHEMBL4139711 0.89 MAPT (0.51) ALDH1A1SMN1; SMN2LMNAMAPTPOLB
SCHEMBL4141371 0.89 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL4134647 0.88 MAPT (0.52) ALDH1A1LMNAMAPTPOLBGAA
SCHEMBL4139659 0.87 TP53 (0.49) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL4144324 0.86 TP53 (0.50) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL4146568 0.85 MAPT (0.64) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL4151128 0.84 MAPT (0.52) ALDH1A1SMN1; SMN2LMNAMAPTNPC1

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 2 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

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 1202/4885SMN1; SMN2 155/4885LMNA 3634/4885

“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.