SCHEMBL19006138

SCHEMBL19006138

O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCCOCCOCCOCCOCCOCCOCCn1cc(CN(N=C2CCCC2)c2nc(-c3ccc(Cl)cc3)cs2)nn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.52
▸ PKM P14618 2/20 0.47
▸ CA12 O43570 3/20 0.46
▸ CA1 P00915 3/20 0.46
▸ CA2 P00918 3/20 0.46
▸ CA9 Q16790 3/20 0.46
▸ SENP1 Q9P0U3 1/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.46
▸ CD22 P20273 1/20 0.45
▸ LYPLA2 O95372 1/20 0.45
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ TYK2 P29597 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ FLT1 P17948 1/20 0.42
▸ FLT4 P35916 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ CHI3L1 P36222 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41

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
SCHEMBL19006137 0.95 SENP1 (0.50) OPRM1PKMCA12CA1CA2
SCHEMBL19006139 0.83 OPRM1 (0.57) OPRM1PKMCA12CA1CA2
SCHEMBL22473633 0.76 OPRM1 (0.64) OPRM1PKMCA12CA1CA2
SCHEMBL13735950 0.76 OPRM1 (0.66) OPRM1PKMCA12CA1CA2
SCHEMBL19134196 0.75 OPRM1 (0.63) OPRM1PKMCA12CA1CA2
SCHEMBL18694532 0.75 OPRM1 (0.63) OPRM1PKMCA12CA1CA2
SCHEMBL20896592 0.75 OPRM1 (0.61) OPRM1PKMCA12CA1CA2
SCHEMBL19134215 0.75 OPRM1 (0.50) OPRM1PKMCA12CA1CA2
SCHEMBL20896670 0.75 CA12 (0.61) OPRM1PKMCA12CA1CA2
SCHEMBL20904552 0.75 CA12 (0.61) OPRM1PKMCA12CA1CA2

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-9809562-B2 NAT10 modulators for treating or preventing laminopathies, aging and cancer CAMBRIDGE ENTERPRISE LIMITED (GB) 2017-11-07 — — US disclosed
US-20170174644-A1 NAT10 MODULATORS FOR TREATING OR PREVENTING LAMINOPATHIES, AGING AND CANCER CAMBRIDGE ENTERPRISE LIMITED (GB) 2017-06-22 — — 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-20170174644-A1 NAT10 MODULATORS FOR TREATING OR PREVENTING LAMINOPATHIES, AGING AND CANCER LMNB2, LMNB1, LMNA OPRM1 4606/4885PKM 1564/4885CA12 4872/4885

“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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