SCHEMBL145604

SCHEMBL145604

C#CC[C@@H]1[C@H](OC(=O)c2ccccc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
KLK7 P49862 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GPR119 Q8TDV5 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
STS P08842 1/20 0.38
HCRTR2 O43614 1/20 0.38
USP30 Q70CQ3 2/20 0.37
SLC18A3 Q16572 1/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37

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
SCHEMBL13625747 0.85 KDM4E (0.42) KDM4EPKMKLK7MEN1KMT2A
SCHEMBL29997995 0.85 KLK7 (0.46) KDM4EPKMKLK7MEN1KMT2A
SCHEMBL7297892 0.81 KLK7 (0.47) KDM4EPKMKLK7MEN1KMT2A
SCHEMBL30718564 0.81 MEN1 (0.45) KDM4EPKMKLK7MEN1KMT2A
SCHEMBL7869122 0.81 KLK7 (0.41) KDM4EPKMKLK7MEN1KMT2A
SCHEMBL2964414 0.79 KCNH2 (0.46)
SCHEMBL5803438 0.79 KCNH2 (0.46)
SCHEMBL5803431 0.79 KCNH2 (0.46)
SCHEMBL29997845 0.78 KLK7 (0.48) KDM4EPKMKLK7MEN1KMT2A
SCHEMBL13586670 0.78 KDM4E (0.42) KDM4EPKMMEN1KMT2AGPR119

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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 KDM4E 2563/4885PKM 4411/4885KLK7 3216/4885

“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.