SCHEMBL4284183

SCHEMBL4284183

COc1ccc(C)cc1CCC(=O)Nc1sc2c(c1C#N)CCN(C(=O)CCc1c[nH]c(C)n1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.51
MEN1 O00255 6/20 0.51
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 2/20 0.42
GRM5 P41594 1/20 0.41
MAPK10 P53779 2/20 0.41
MAPK9 P45984 1/20 0.41
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
CASP6 P55212 1/20 0.40
PAX8 Q06710 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PLA2G1B P04054 1/20 0.40

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
SCHEMBL2969120 0.89 KMT2A (0.52) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL2961358 0.88 KMT2A (0.50) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL2957114 0.88 MEN1 (0.57) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL2960774 0.88 MEN1 (0.57) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL2970293 0.88 MEN1 (0.51) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL2970193 0.88 KMT2A (0.51) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL2969324 0.87 MEN1 (0.56) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL2963003 0.87 KMT2A (0.50) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL2969415 0.87 KMT2A (0.57) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL2962069 0.87 MEN1 (0.52) KMT2AMEN1MAPTALDH1A1SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES PEKARI KLAUS 2009-10-15 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-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, BCL2, CCAR2 KMT2A 2418/4885MEN1 4735/4885MAPT 1166/4885

“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.