SCHEMBL6738655

SCHEMBL6738655

COc1ccc2c(c1)c(=O)oc(=O)n2CCCC#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYLK Q15746 5/20 0.52
MAPT P10636 5/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KMO O15229 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MET P08581 1/20 0.41
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
STAT1 P42224 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
SCHEMBL6238430 0.81 MAPT (0.47) MAPTKMT2ATP53SMN1; SMN2ALDH1A1
SCHEMBL24054541 0.79 MAPT (0.44) MAPTKMT2ASMN1; SMN2ALDH1A1KMO
SCHEMBL30198077 0.79 MAPT (0.44) MAPTKMT2ASMN1; SMN2ALDH1A1KMO
SCHEMBL6887258 0.78 ALDH1A1 (0.48) MYLKKMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL1429199 0.75 MYLK (0.48) MYLKKMT2AALDH1A1MAOAMAOB
SCHEMBL29811358 0.75 MAPT (0.53) MAPTKMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL1319021 0.75 MAPT (0.53) MAPTKMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL8401734 0.74 MYLK (0.48) MYLKKMT2AALDH1A1MAOAMAOB
SCHEMBL3932038 0.72 KDM4E (0.56) MAPTKMT2ATP53NPSR1KDM4E
SCHEMBL9046095 0.72 PLA2G2A (0.46) MAPTKMT2ATP53SMN1; SMN2ALDH1A1

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-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 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-20040147739-A1 Novel anti-infectives RPL5, RPL7, RPL35 MYLK 2820/4885MAPT 4204/4885KMT2A 4733/4885

“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.