SCHEMBL17297943

SCHEMBL17297943

CC(=O)NCc1c2n(c(Cl)cc1=O)CCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.36
▸ MTNR1B P49286 2/20 0.36
▸ LDHA P00338 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PDE3B Q13370 3/20 0.33
▸ PDE3A Q14432 3/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ GRIA2 P42262 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32

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
SCHEMBL19477775 0.87 LDHA (0.34) LDHACYP2D6ALDH1A1LMNAMAPT
SCHEMBL17297856 0.86 DRD4 (0.36) LDHACYP2D6ALDH1A1LMNAMAPT
SCHEMBL17297973 0.85 LDHA (0.37) MTNR1AMTNR1BLDHACYP2D6ALDH1A1
SCHEMBL19102417 0.83 DRD2 (0.39) LDHACYP2D6PDE3BPDE3ATP53
SCHEMBL17297944 0.83 LDHA (0.35) MTNR1AMTNR1BLDHACYP2D6CYP1A2
SCHEMBL17297915 0.79 MTNR1A (0.36) MTNR1AMTNR1BLDHACYP1A2CYP3A4
SCHEMBL20749729 0.76 EZH2 (0.43) PDE3BPDE3A
SCHEMBL17297940 0.75 MTNR1A (0.34) MTNR1AMTNR1BLDHACYP1A2CYP3A4
SCHEMBL17297918 0.73 MTNR1A (0.33) MTNR1AMTNR1BLDHACYP1A2CYP3A4
SCHEMBL19477723 0.72 LDHA (0.35) LDHACYP2D6ALDH1A1PDE3BPDE3A

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
EP-2935264-B1 1,4-PYRIDONE BICYCLIC HETEROARYL COMPOUNDS EPIZYME INC (US) 2017-10-18 — — EP disclosed
US-9701666-B2 1,4-pyridone bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-07-11 — — US disclosed
US-20150344459-A1 1,4-PYRIDONE BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2015-12-03 — — 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-20150344459-A1 1,4-PYRIDONE BICYCLIC HETEROARYL COMPOUNDS CYP4B1, PDXK, CYP1B1 MTNR1A 1359/4885MTNR1B 940/4885LDHA 2089/4885

“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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