SCHEMBL9926338

SCHEMBL9926338

CN[C@H](C)CSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 16/20 0.47
TAAR1 Q96RJ0 2/20 0.46
SLC18A2 Q05940 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
DNMT1 P26358 1/20 0.43

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
SCHEMBL14163809 0.84 KIF11 (0.46) KIF11DNMT1
SCHEMBL12846954 0.80 KIF11 (0.51) KIF11DNMT1
SCHEMBL29947864 0.77 KIF11 (0.53) KIF11DNMT1
SCHEMBL10420532 0.77 KIF11 (0.53) KIF11DNMT1
SCHEMBL30408374 0.76 KIF11 (0.56) KIF11DNMT1
SCHEMBL20202837 0.76 KIF11 (0.56) KIF11DNMT1
SCHEMBL4410619 0.76 KIF11 (0.56) KIF11DNMT1
SCHEMBL9926339 0.76 KIF11 (0.44) KIF11DNMT1
SCHEMBL5020894 0.76 KIF11 (0.44) KIF11DNMT1
SCHEMBL18054925 0.75 KIF11 (0.51) KIF11DNMT1

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-20120149648-A1 THERAPEUTIC PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2012-06-14 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-20120149648-A1 THERAPEUTIC PEPTIDOMIMETIC MACROCYCLES PCNA, MKI67, NFATC1 KIF11 2051/4885TAAR1 4668/4885SLC18A2 4845/4885

“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.