SCHEMBL20117642

SCHEMBL20117642

COc1ccc(C(=S)Nc2cc(C(F)(F)F)ccc2N2CC[C@H]3CCCC[C@@H]3C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.41
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
ERAP1 Q9NZ08 2/20 0.40
ALOX12 P18054 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ERAP2 Q6P179 1/20 0.40
SRPK1 Q96SB4 2/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL21322827 1.00 MEN1 (0.45) MEN1KMT2ALMNASMN1; SMN2L3MBTL1
SCHEMBL15277928 0.90 MAPT (0.53) MEN1KMT2ALMNASMN1; SMN2L3MBTL1
SCHEMBL20117644 0.89 LMNA (0.42) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL15849107 0.88 MAPT (0.44) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL1110657 0.86 SRPK1 (0.55) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL1110656 0.86 SRPK1 (0.55) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL1110655 0.86 SRPK1 (0.55) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL15277956 0.82 KDR (0.44) MEN1KMT2ALMNASMN1; SMN2L3MBTL1
SCHEMBL15277931 0.80 SRPK1 (0.44) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL15277927 0.79 KDR (0.55) MEN1KMT2ALMNAL3MBTL1ALDH1A1

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-20200188382-A1 PHARMACEUTICAL COMPOSITION FOR INDUCING PROGRAMMED CELL DEATH IN CANCER CELLS KYOTO UNIVERSITY (JP) 2020-06-18 US disclosed
WO-2018079855-A1 PHARMACEUTICAL COMPOSITION FOR INDUCING PROGRAMMED CELL DEATH IN CANCER CELLS 国立大学法人京都大学 2018-05-03 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-20200188382-A1 PHARMACEUTICAL COMPOSITION FOR INDUCING PROGRAMMED CELL DEATH IN CANCER CELLS CASP3, BAX, BAD MEN1 2821/4885KMT2A 4487/4885LMNA 1177/4885

“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.