SCHEMBL13519614

SCHEMBL13519614

CC(C)CCN1CCC(OC(=O)CNC(=O)[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 1/20 0.34
▸ ARG1 P05089 1/20 0.32
▸ ARG2 P78540 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ THPO P40225 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ CARM1 Q86X55 1/20 0.30
▸ PRMT6 Q96LA8 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
SCHEMBL13520202 0.88 CHRM3 (0.37) CARM1PRMT6
SCHEMBL13519666 0.84 LTA4H (0.34) CHRM4
SCHEMBL13519660 0.74 MEN1 (0.40) CHRM4ARG1ARG2NAMPTALDH1A1
SCHEMBL13520216 0.72 LTA4H (0.37) —
SCHEMBL13519662 0.72 ALDH1A1 (0.36) CHRM4ARG1ARG2NAMPTALDH1A1
SCHEMBL13519665 0.71 ALDH1A1 (0.33) ARG1ARG2ALDH1A1TP53CYP1A2
SCHEMBL13519661 0.70 ARG1 (0.41) ARG1ARG2NAMPTALDH1A1TSHR
SCHEMBL12110848 0.70 ADORA3 (0.43) —
SCHEMBL13519654 0.68 ALDH1A1 (0.45) ARG1ARG2ALDH1A1TSHRTP53
SCHEMBL13519653 0.68 ALDH1A1 (0.48) ALDH1A1TSHRTP53

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 3 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-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 CHRM4 4668/4885ARG1 57/4885ARG2 67/4885

“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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