SCHEMBL12145481

SCHEMBL12145481

CCOC(=O)C(=O)NCc1ccc(OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
KMT2A Q03164 4/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MEN1 O00255 1/20 0.56
GLA P06280 1/20 0.56
HPGD P15428 2/20 0.55
THRB P10828 1/20 0.54
EPHX2 P34913 1/20 0.54
PKM P14618 1/20 0.54
TP53 P04637 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 2/20 0.53
MAPT P10636 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ATM Q13315 1/20 0.53
NPC1 O15118 1/20 0.52
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL12143938 0.85 SMN1; SMN2 (0.57) ALDH1A1KMT2AL3MBTL1MEN1HPGD
SCHEMBL16562180 0.85 ALDH1A1 (0.69) ALDH1A1KMT2AL3MBTL1MEN1HPGD
SCHEMBL24635021 0.84 KMT2A (0.53) ALDH1A1KMT2AL3MBTL1MEN1GLA
SCHEMBL13860776 0.83 MAPT (0.62) KMT2AMEN1HPGDEPHX2TP53
SCHEMBL9976045 0.83 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1HPGDTHRB
SCHEMBL15682691 0.83 MEN1 (0.53) ALDH1A1KMT2AL3MBTL1MEN1POLB
SCHEMBL20022976 0.82 NPC1 (0.62) ALDH1A1KMT2AMEN1TP53MAPT
SCHEMBL15682711 0.82 EPHX2 (0.58) ALDH1A1HPGDEPHX2SMN1; SMN2POLB
SCHEMBL11169677 0.82 PPID (0.60) ALDH1A1KMT2AL3MBTL1MEN1EPHX2
SCHEMBL9976043 0.81 ALDH1A1 (0.42) ALDH1A1KMT2AL3MBTL1MEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204387-B1 TRIAZOLOPYRAZINONES AS PDE1 INHIBITORS H LUNDBECK AS (DK) 2019-06-12 EP disclosed
US-10150771-B2 Triazolopyrazinones as PDE1 inhibitors H. LUNDBECK A/S (DK) 2018-12-11 US disclosed
US-20170298072-A1 Triazolopyrazinones as PDE1 Inhibitors H. LUNDBECK A/S (DK) 2017-10-19 US disclosed
EP-3204387-A1 TRIAZOLOPYRAZINONES AS PDE1 INHIBITORS H. Lundbeck A/S (DK) 2017-08-16 EP disclosed
WO-2016055618-A1 TRIAZOLOPYRAZINONES AS PDE1 INHIBITORS H. LUNDBECK A/S (DK) 2016-04-14 WO disclosed
US-8067420-B2 Substituted pyrazinone melanin concentrating hormone receptor-1 antagonists and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 US disclosed
US-8012984-B2 Substituted pyrazinone melanin concentrating hormone receptor-1 antagonists and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-06 US disclosed
US-20110144060-A1 SUBSTITUTED PYRAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS BRISTOL-MYERS SQUIBB COMPANY 2011-06-16 US disclosed
US-20110003759-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS BRISTOL-MYERS SQUIBB COMPANY 2011-01-06 US disclosed
WO-2009009501-A2 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 WO disclosed
US-20090011994-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS BRISTOL-MYERS SQUIBB COMPANY 2009-01-08 US disclosed
US-20090011994-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS BRISTOL-MYERS SQUIBB COMPANY 2009-01-08 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 (5 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-10150771-B2 Triazolopyrazinones as PDE1 inhibitors PDE5A, PDE4A, PDE12 ALDH1A1 298/4885KMT2A 1246/4885L3MBTL1 3905/4885
US-20170298072-A1 Triazolopyrazinones as PDE1 Inhibitors PDE5A, PDE4A, PDE12 ALDH1A1 298/4885KMT2A 1246/4885L3MBTL1 3905/4885
US-20110144060-A1 SUBSTITUTED PYRAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS MCHR1, MC1R, MCHR2 ALDH1A1 438/4885KMT2A 2155/4885L3MBTL1 1462/4885
US-20110003759-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS MCHR1, MCHR2, MC1R ALDH1A1 733/4885KMT2A 1379/4885L3MBTL1 937/4885
US-20090011994-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS MCHR1, MCHR2, MC1R ALDH1A1 733/4885KMT2A 1379/4885L3MBTL1 937/4885

“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.