SCHEMBL18075387

SCHEMBL18075387

COC(=O)C(CCCCl)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LDHB P07195 8/20 0.49
▸ LDHA P00338 7/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ PDE2A O00408 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ UTS2R Q9UKP6 2/20 0.39
▸ NOS3 P29474 1/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL6122761 0.82 LDHA (0.45) LDHBLDHAL3MBTL1
SCHEMBL1966465 0.81 L3MBTL1 (0.45) L3MBTL1ESR1ESR2HTT
SCHEMBL1533272 0.81 KMT2A (0.51) L3MBTL1ESR1ESR2
SCHEMBL18075336 0.81 PDE2A (0.46) LDHBLDHAPDE2AHTTMAPK1
SCHEMBL21326186 0.80 LDHA (0.45) LDHBLDHAL3MBTL1
SCHEMBL1533530 0.79 ALDH1A1 (0.47) L3MBTL1ESR1ESR2LMNAHTT
SCHEMBL30410294 0.78 LDHB (0.61) LDHBLDHAL3MBTL1
SCHEMBL5364018 0.76 LDHB (0.50) LDHBLDHAESR1ESR2PDE2A
SCHEMBL30992205 0.74 LDHB (0.48) LDHBLDHAESR1ESR2NOS3
SCHEMBL6809648 0.74 ALDH1A1 (0.51) LDHBLDHAPDE2ANOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3270926-B1 TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2021-08-04 — — EP disclosed
US-10358435-B2 Triazolyl pyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-07-23 — — US disclosed
US-20180237422-A1 TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-08-23 — — US disclosed
EP-3270926-A1 TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-01-24 — — EP disclosed
WO-2016149058-A1 TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 — — WO disclosed
WO-2016145614-A1 TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 — — WO 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-20180237422-A1 TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE2A, PDE12, PDE4D LDHB 3400/4885LDHA 3443/4885L3MBTL1 4732/4885
US-10358435-B2 Triazolyl pyrimidinone compounds as PDE2 inhibitors PDE2A, PDE12, PDE4D LDHB 3400/4885LDHA 3443/4885L3MBTL1 4732/4885

“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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