SCHEMBL13519665

SCHEMBL13519665

CC(C)CCN1CCN(C(=O)[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ ARG1 P05089 1/20 0.31
▸ ARG2 P78540 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ TACR1 P25103 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL20873262 0.85 HRH3 (0.42) ALDH1A1HSD11B1
SCHEMBL13520215 0.85 HRH3 (0.42) ALDH1A1HSD11B1
SCHEMBL20873336 0.82 GLB1 (0.38) HSD11B1
SCHEMBL20873261 0.81 HSD11B1 (0.47) HSD11B1SMN1; SMN2
SCHEMBL20873277 0.80 GUSB (0.41) —
SCHEMBL20873280 0.79 PPP5C (0.44) CYP1A2HSD11B1
SCHEMBL20873337 0.79 HRH3 (0.40) —
SCHEMBL20873339 0.76 CHRM3 (0.43) ALDH1A1HSD11B1TP53SMN1; SMN2
SCHEMBL20873323 0.75 RAB9A (0.36) —
SCHEMBL13519666 0.74 LTA4H (0.34) —

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-7642245-B2 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif OSCIENT PHARMACEUTICALS CORPORATION (US) 2010-01-05 — — US disclosed
US-20070142268-A1 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif OSCIENT PHARMACEUTICALS CORPORATION (US) 2007-06-21 — — 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-20070142268-A1 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif AADAC, MRPL21, HDAC6 ALDH1A1 1422/4885PIK3CD 4277/4885CYP1A2 2596/4885

“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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