SCHEMBL15075700

SCHEMBL15075700

CN1C(=O)c2c(ncn2CCO)NC1O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31

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
SCHEMBL24079417 0.80 GDA (0.30) —
SCHEMBL21499649 0.79 MAPK1 (0.43) LMNASMN1; SMN2
SCHEMBL15384250 0.77 LMNA (0.36) LMNAADORA2BPDE4APDE4BPDE4C
SCHEMBL15075694 0.72 LMNA (0.38) LMNAADORA2BPDE4APDE4BPDE4C
SCHEMBL15384357 0.66 LMNA (0.37) LMNAADORA2BPDE4APDE4BPDE4C
SCHEMBL18545316 0.65 GDA (0.43) —
SCHEMBL24247506 0.63 BRD4 (0.33) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL19607693 0.60 CYP11B2 (0.43) —
SCHEMBL19472287 0.60 AMPD2 (0.38) LMNAADORA2BPDE4APDE4BPDE4C
SCHEMBL19035767 0.59 GDA (0.30) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. (US) 2013-06-27 — — 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-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 LMNA 594/4885ADORA2B 1599/4885PDE4A 1534/4885

“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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