SCHEMBL145605

SCHEMBL145605

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
GAA P10253 1/20 0.38
CHRNA7 P36544 2/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA5 P30532 1/20 0.35
CHRNA4 P43681 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL143386 0.73
SCHEMBL7869128 0.73 KDM4E (0.42) MEN1KMT2ACARM1PRMT6CHRNA7
SCHEMBL1594894 0.65 RIPK1 (0.40) CHRM1
SCHEMBL28501020 0.64 MEN1 (0.52) MEN1KMT2ACARM1PRMT6GAA
SCHEMBL5031208 0.64 KMT2A (0.49) MEN1KMT2ACARM1PRMT6GAA
SCHEMBL29022929 0.64 KMT2A (0.49) MEN1KMT2ACARM1PRMT6GAA
SCHEMBL5116363 0.63 MEN1 (0.48) MEN1KMT2ACARM1PRMT6CHRNA7
SCHEMBL1154422 0.61 GAA (0.46) MEN1KMT2ACARM1PRMT6GAA
SCHEMBL27134062 0.61 GAA (0.48) MEN1KMT2AGAACHRNA7HTR3E
SCHEMBL1912989 0.61 MEN1 (0.62) MEN1KMT2ACARM1PRMT6CHRNA7

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 MEN1 3668/4885KMT2A 4780/4885CARM1 4818/4885

“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.