SCHEMBL19006137

SCHEMBL19006137

O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCCOCCOCCC(=O)NCCCCCCn1cc(CN(N=C2CCCC2)c2nc(-c3ccc(Cl)cc3)cs2)nn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SENP1 Q9P0U3 1/20 0.50
▸ OPRM1 P35372 1/20 0.48
▸ SETD7 Q8WTS6 1/20 0.46
▸ GBA1 P04062 1/20 0.45
▸ CA12 O43570 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ ADORA2A P29274 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ PKM P14618 2/20 0.43
▸ FOLH1 Q04609 2/20 0.42
▸ CD22 P20273 1/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ HSP90AB1 P08238 1/20 0.42
▸ LYPLA2 O95372 1/20 0.41
▸ CHI3L1 P36222 1/20 0.41
▸ F2 P00734 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ PRSS2 P07478 1/20 0.40

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
SCHEMBL19006138 0.95 OPRM1 (0.52) SENP1OPRM1SETD7GBA1CA12
SCHEMBL19006139 0.78 OPRM1 (0.57) SENP1OPRM1GBA1CA12CA1
SCHEMBL20896592 0.73 OPRM1 (0.61) SENP1OPRM1GBA1CA12CA1
SCHEMBL22473633 0.73 OPRM1 (0.64) SENP1OPRM1CA12CA1CA2
SCHEMBL20904552 0.73 CA12 (0.61) SENP1OPRM1CA12CA1CA2
SCHEMBL20896670 0.73 CA12 (0.61) SENP1OPRM1CA12CA1CA2
SCHEMBL20896874 0.72 OPRM1 (0.61) SENP1OPRM1GBA1CA12CA1
SCHEMBL13735950 0.72 OPRM1 (0.66) SENP1OPRM1CA12CA1CA2
Hydrochloric Acid SCHEMBL20896828 0.71 OPRM1 (0.60) SENP1OPRM1SETD7CA12CA1
SCHEMBL18694532 0.71 OPRM1 (0.63) SENP1OPRM1CA12CA1CA2

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 SENP1 2338/4885OPRM1 4606/4885SETD7 4191/4885

“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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