SCHEMBL1340669

SCHEMBL1340669

O=C(O)c1nccnc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
LMNA P02545 2/20 0.53
ATM Q13315 1/20 0.50
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
BLM P54132 1/20 0.48
AGER Q15109 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SLC22A12 Q96S37 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
P4HTM Q9NXG6 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
PDE10A Q9Y233 2/20 0.43
DHODH Q02127 1/20 0.43
CYP1A2 P05177 2/20 0.43

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
SCHEMBL10419666 0.96 KDM4E (0.50) KDM4ELMNAATMMAPTALDH1A1
SCHEMBL24485255 0.86 NAPRT (0.45) KDM4ELMNAATMMAPTALDH1A1
SCHEMBL3468178 0.84 ADORA2A (0.50) KDM4ELMNAATMMAPTALDH1A1
SCHEMBL30280438 0.84 SLC22A12 (0.49) KDM4ELMNAATMMAPTALDH1A1
SCHEMBL25779250 0.83 MKNK1 (0.53) KDM4EMAPTALDH1A1L3MBTL1CYP3A4
SCHEMBL981000 0.82 KMT2A (0.50) KDM4ELMNAMAPTALDH1A1L3MBTL1
SCHEMBL5775106 0.82 KMO (0.47) KDM4EMAPTALDH1A1L3MBTL1CYP3A4
SCHEMBL1966662 0.82 BCL2L1 (0.47) KDM4EMAPTALDH1A1L3MBTL1CYP3A4
SCHEMBL319166 0.81 MCL1 (0.46) KDM4ELMNAATMMAPTALDH1A1
SCHEMBL2057011 0.81 KMO (0.52) KDM4EMAPTALDH1A1DHODHNR4A2

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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102164896-A Phenethylamide derivatives and their heterocyclic analogues ACTELION PHARMACEUTICALS LTD 2011-08-24 CN claimed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO claimed
EP-4272824-A2 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN Pharmaceutica NV (BE) 2023-11-08 EP disclosed
EP-4272824-A2 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN Pharmaceutica NV (BE) 2023-11-08 EP disclosed
EP-3622956-B9 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-09-27 EP disclosed
EP-3622956-B9 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-09-27 EP disclosed
WO-2023118434-A1 PESTICIDALLY ACTIVE AMIDE COMPOUNDS GLOBACHEM NV (BE) 2023-06-29 WO disclosed
WO-2023097386-A1 SELECTIVE HDAC6-INHIBITING N-ACYLHYDRAZONE COMPOUNDS, METHODS FOR PRODUCING SAME, COMPOSITIONS, USES, TREATMENT METHODS AND KITS EUROFARMA LABORATÓRIOS S.A (BR) 2023-06-08 WO disclosed
EP-3622956-B1 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-06-07 EP disclosed
EP-3622956-B1 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-06-07 EP disclosed
CN-114085182-A Organic compound, light-emitting element, light-emitting device, electronic device, and lighting device 株式会社半导体能源研究所 2022-02-25 CN disclosed
US-20100204285-A1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-08-12 US disclosed
EP-2185512-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-05-19 EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO disclosed
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 US disclosed
CN-101522618-A 3-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 CN disclosed
EP-2079690-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-07-22 EP disclosed
WO-2009016560-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-02-05 WO disclosed
WO-2008038251-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-03 WO disclosed
US-3935193-A ANTIBIOTICS TOYO JOZO KABUSHIKI KAISHA (JA) 1976-01-27 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-20100204285-A1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 KDM4E 1778/4885LMNA 2389/4885ATM 4819/4885
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 KDM4E 735/4885LMNA 2207/4885ATM 4689/4885

“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.