SCHEMBL140872

SCHEMBL140872

C#CCC1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.34
▸ ABCB1 P08183 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ SRC P12931 4/20 0.30
▸ PARP1 P09874 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL18394293 0.89 ALDH1A1 (0.36) NR1H2ABCB1ALDH1A1MEN1MAPT
SCHEMBL29273310 0.89 ALDH1A1 (0.36) NR1H2ABCB1ALDH1A1MEN1MAPT
SCHEMBL2080406 0.89 ALDH1A1 (0.36) NR1H2ABCB1ALDH1A1MEN1MAPT
SCHEMBL17154897 0.89 ALDH1A1 (0.36) NR1H2ABCB1ALDH1A1MEN1MAPT
SCHEMBL12431668 0.87 NR1H2 (0.37) NR1H2ABCB1ALDH1A1MEN1KMT2A
SCHEMBL139880 0.86 NR1H2 (0.42) NR1H2ABCB1ALDH1A1MEN1KMT2A
SCHEMBL1372634 0.86 NR1H2 (0.42) NR1H2ABCB1ALDH1A1MEN1KMT2A
SCHEMBL20312947 0.86 NR1H2 (0.42) NR1H2ABCB1ALDH1A1MEN1KMT2A
SCHEMBL21286125 0.86 NR1H2 (0.42) NR1H2ABCB1ALDH1A1MEN1KMT2A
SCHEMBL19964151 0.86 NR1H2 (0.42) NR1H2ABCB1ALDH1A1MEN1KMT2A

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 NR1H2 971/4885ABCB1 53/4885ALDH1A1 1678/4885

“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.

Send feedback