SCHEMBL4132514

SCHEMBL4132514

O=c1c2c3c(sc2nc(C(F)(F)F)n1-c1ccc(F)cc1)CCCCC3

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
GAA P10253 2/20 0.60
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 3/20 0.53
MAPT P10636 6/20 0.52
KDM4E B2RXH2 2/20 0.52
POLB P06746 3/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
TP53 P04637 2/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
TSHR P16473 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
SCHEMBL4144919 0.91 ALDH1A1 (0.53) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL4138842 0.90 ALDH1A1 (0.53) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL4144374 0.90 ALDH1A1 (0.53) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL4146568 0.90 MAPT (0.64) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL4144240 0.89 MAPT (0.62) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL4151128 0.89 MAPT (0.52) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL4141371 0.89 ALDH1A1 (0.53) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL4132531 0.88 ALDH1A1 (0.53) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL4147203 0.88 MAPT (0.54) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL4132548 0.87 ALDH1A1 (0.53) ALDH1A1GAAMEN1KMT2ALMNA

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 1202/4885GAA 1533/4885MEN1 46/4885

“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.