SCHEMBL13884262

SCHEMBL13884262

CC(C)NCc1cccc(CNC(C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.51
▸ PARP1 P09874 3/20 0.42
▸ MAP4K4 O95819 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CA2 P00918 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CCR5 P51681 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MEP1B Q16820 3/20 0.37
▸ CASR P41180 1/20 0.36

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
SCHEMBL11794365 0.87 SLC2A1 (0.57) SLC2A1PARP1MAP4K4ALDH1A1CYP2D6
SCHEMBL14433569 0.87 PRMT6 (0.42) ALDH1A1KMT2A
SCHEMBL13884278 0.85 ALDH1A1 (0.40) SLC2A1PARP1ALDH1A1CA2MEN1
SCHEMBL18557169 0.80 LMNA (0.36) SLC2A1CYP2D6CASR
SCHEMBL20631430 0.79 SLC2A1 (0.51) SLC2A1PARP1MAP4K4ALDH1A1CYP2D6
SCHEMBL27112902 0.79 TP53 (0.39) ALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL14229981 0.79 SLC2A1 (0.51) SLC2A1PARP1MAP4K4ALDH1A1CYP2D6
SCHEMBL22404403 0.79 SLC2A1 (0.34) SLC2A1
SCHEMBL13208280 0.79 BCHE (0.47) SLC2A1PARP1MAP4K4ALDH1A1CYP2D6
SCHEMBL18067758 0.79 TP53BP1 (0.47) ALDH1A1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111737-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2009-04-30 — — US disclosed
US-20070154948-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-07-05 — — 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 (2 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-20070154948-A1 Novel antibacterial agents ENGASE, PGLS, PEPD SLC2A1 2452/4885PARP1 619/4885MAP4K4 3846/4885
US-20090111737-A1 Novel antibacterial agents ENGASE, PGLS, PEPD SLC2A1 2452/4885PARP1 619/4885MAP4K4 3846/4885

“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.

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