SCHEMBL4139711

SCHEMBL4139711

O=c1c2c3c(sc2nc(C(F)(F)F)n1-c1cccc(Cl)c1)CCCCCC3

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
KDM4E B2RXH2 4/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 2/20 0.49
TGM2 P21980 1/20 0.48
NPSR1 Q6W5P4 2/20 0.48
POLB P06746 2/20 0.47
BRAF P15056 2/20 0.47
KDR P35968 2/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 3/20 0.45
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL4147430 1.00 MAPT (0.51) MAPTKDM4EGAAALDH1A1KMT2A
SCHEMBL4134647 0.99 MAPT (0.52) MAPTKDM4EGAAALDH1A1KMT2A
SCHEMBL4154510 0.90 BRD4 (0.52) MAPTKDM4EGAAALDH1A1KMT2A
SCHEMBL4141378 0.90 MAPT (0.51) MAPTKDM4EGAAALDH1A1KMT2A
SCHEMBL4131893 0.89 ALDH1A1 (0.48) MAPTKDM4EGAAALDH1A1KMT2A
SCHEMBL4153731 0.89 MAPT (0.52) MAPTKDM4EGAAALDH1A1KMT2A
SCHEMBL4144374 0.89 ALDH1A1 (0.53) MAPTKDM4EGAAALDH1A1KMT2A
SCHEMBL4138842 0.89 ALDH1A1 (0.53) MAPTKDM4EGAAALDH1A1KMT2A
SCHEMBL4146568 0.88 MAPT (0.64) MAPTKDM4EGAAALDH1A1KMT2A
SCHEMBL4139659 0.88 TP53 (0.49) MAPTKDM4EGAAALDH1A1KMT2A

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 MAPT 1629/4885KDM4E 2942/4885GAA 1533/4885

“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.