SCHEMBL12508263

SCHEMBL12508263

O=C(NCC1CCN(c2ccc(Cl)cc2)CC1)c1ccc2[nH]c(=O)oc2c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ KCNH2 Q12809 5/20 0.54
▸ F10 P00742 4/20 0.50
▸ ENPP2 Q13822 3/20 0.49
▸ SMYD3 Q9H7B4 1/20 0.48

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
SCHEMBL12508756 0.93 KCNH2 (0.60) LMNASMN1; SMN2KDM4EHTTKCNH2
SCHEMBL12419751 0.92 ENPP2 (0.53) LMNASMN1; SMN2KDM4EHTTKCNH2
SCHEMBL12508975 0.90 AKT1 (0.51) LMNASMN1; SMN2KDM4EHTTKCNH2
SCHEMBL12508973 0.90 GRIN2D (0.55) LMNASMN1; SMN2KDM4EHTTKCNH2
SCHEMBL12508970 0.90 SMYD3 (0.51) LMNASMN1; SMN2KDM4EHTTKCNH2
SCHEMBL12508519 0.90 ENPP2 (0.54) LMNASMN1; SMN2KCNH2F10ENPP2
SCHEMBL12508266 0.90 KCNH2 (0.51) LMNASMN1; SMN2KDM4EHTTKCNH2
SCHEMBL12508760 0.89 KCNH2 (0.53) LMNASMN1; SMN2KDM4EHTTKCNH2
SCHEMBL12508668 0.89 GRIN2D (0.49) KCNH2F10ENPP2SMYD3
SCHEMBL12508512 0.88 KCNH2 (0.49) LMNASMN1; SMN2KDM4EHTTKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172415-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2011-07-14 — — US disclosed
US-7935706-B2 Nitrogen-containing heterocycle derivatives substituted with cyclic group SHIONOGI & CO., LTD. (JP) 2011-05-03 — — US disclosed
US-7935706-B2 Nitrogen-containing heterocycle derivatives substituted with cyclic group SHIONOGI & CO., LTD. (JP) 2011-05-03 — — US disclosed
US-20090062261-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2009-03-05 — — US disclosed
US-20090062261-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2009-03-05 — — 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 (2 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-20110172415-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP NR4A1, NR0B2, NR0B1 LMNA 3424/4885SMN1; SMN2 3132/4885KDM4E 2461/4885
US-20090062261-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP NR4A1, NR0B2, NR0B1 LMNA 3424/4885SMN1; SMN2 3132/4885KDM4E 2461/4885

“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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