SCHEMBL3880000

SCHEMBL3880000

O=C(O)c1cccnc1CO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
TDP1 Q9NUW8 1/20 0.59
ALDH1A1 P00352 9/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
ALOX15 P16050 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
CYP3A4 P08684 1/20 0.57
MAPT P10636 1/20 0.57
TSHR P16473 1/20 0.57
BLM P54132 1/20 0.57
AGER Q15109 1/20 0.57
NAPRT Q6XQN6 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 2/20 0.55
CYP2C9 P11712 1/20 0.47
DHODH Q02127 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
MYC P01106 1/20 0.46

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
SCHEMBL9858538 0.85 KDM4E (0.55) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL5252687 0.84 KDM4E (0.59) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL2782918 0.82 KDM4E (0.62) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL188175 0.82 NAPRT (0.58) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL14515519 0.82 KDM4E (0.57) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL123202 0.82 KDM4E (0.57) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL242926 0.82 SMN1; SMN2 (0.58) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL497429 0.82 PARP1 (0.53) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL3931891 0.82 NAPRT (0.58) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL8534431 0.82 ALDH1A1 (0.57) KDM4ETDP1ALDH1A1L3MBTL1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493304-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME H. Lundbeck A/S (DK) 2012-09-05 EP claimed
JP-6199799-A None JP disclosed
EP-4301744-A1 NICOTINAMIDE RIPK1 INHIBITORS AbbVie Inc. (US) 2024-01-10 EP disclosed
US-20230159507-A1 MODULATORS OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-05-25 US disclosed
US-20230159507-A1 MODULATORS OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-05-25 US disclosed
WO-2023018643-A1 NICOTINAMIDE RIPK1 INHIBITORS ABBVIE INC. (US) 2023-02-16 WO disclosed
US-11548880-B2 Modulators of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-01-10 US disclosed
EP-4046988-A1 2-FORMYL-3-HYDROXYPHENYLOXYMETHYL COMPOUNDS CAPABLE OF MODULATING HEMOGLOBIN Global Blood Therapeutics, Inc. (US) 2022-08-24 EP disclosed
EP-3880654-B1 2-FORMYL-3-HYDROXYPHENYLOXYMETHYL COMPOUNDS CAPABLE OF MODULATING HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS INC (US) 2021-12-29 EP disclosed
US-20210355104-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS NIKANG THERAPEUTICS, INC. (US) 2021-11-18 US disclosed
EP-3820474-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS Nikang Therapeutics, Inc. (US) 2021-05-19 EP disclosed
US-20210047309-A1 MODULATORS OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2021-02-18 US disclosed
US-10683285-B2 Modulators of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-06-16 US disclosed
EP-2638042-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2013-09-18 EP disclosed
WO-2012064910-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-18 WO disclosed
EP-2111400-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. AstraZeneca AB (SE) 2009-10-28 EP disclosed
WO-2008085117-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. ASTRAZENECA AB (SE) 2008-07-17 WO disclosed
JP-H06199799-A PRODUCTION OF AZAPHTHALIDE DERIVATIVE KYOWA HAKKO KOGYO CO LTD 1994-07-19 JP 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-20210355104-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS ADORA2A, ADORA1, ADORA3 KDM4E 3550/4885TDP1 2781/4885ALDH1A1 944/4885
US-10683285-B2 Modulators of hemoglobin HBG1, HBG2, HBB KDM4E 1774/4885TDP1 3819/4885ALDH1A1 3168/4885
US-20210047309-A1 MODULATORS OF HEMOGLOBIN HBG1, HBG2, HBB KDM4E 1774/4885TDP1 3819/4885ALDH1A1 3168/4885
US-20230159507-A1 MODULATORS OF HEMOGLOBIN HBG1, HBG2, HBB KDM4E 1774/4885TDP1 3819/4885ALDH1A1 3168/4885
US-11548880-B2 Modulators of hemoglobin HBG1, HBG2, HBB KDM4E 1774/4885TDP1 3819/4885ALDH1A1 3168/4885

“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.