SCHEMBL160432

SCHEMBL160432

[c]1cccc(-n2cccn2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPK1 P28482 2/20 0.44
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
G6PD P11413 1/20 0.37
NPC1 O15118 1/20 0.37
HDAC4 P56524 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA10 Q9GZZ6 1/20 0.36
CHRNA9 Q9UGM1 1/20 0.36
ERCC1 P07992 1/20 0.35
ERCC4 Q92889 1/20 0.35

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
SCHEMBL41608 0.78 NOTUM (0.59) NOTUMALDH1A1KDM4EMAPK1DRD2
SCHEMBL2876639 0.76 NOTUM (0.50) NOTUM
SCHEMBL27250 0.74 NOTUM (0.65) NOTUMALDH1A1KDM4EMAPK1DRD2
SCHEMBL4341894 0.74 NOTUM (0.78) NOTUMALDH1A1KDM4EMAPK1DRD2
SCHEMBL3608886 0.74
SCHEMBL28573560 0.73 NOTUM (0.42) NOTUMALDH1A1KDM4EMAPK1DRD2
SCHEMBL5613795 0.73 NOTUM (0.48) NOTUMALDH1A1KDM4EMAPK1DRD2
SCHEMBL842039 0.73 NOTUM (0.63) NOTUMALDH1A1KDM4EMAPK1DRD2
Hydrochloric Acid SCHEMBL15510676 0.73 NOTUM (0.63) NOTUMALDH1A1KDM4EMAPK1DRD2
SCHEMBL514704 0.73 NOTUM (0.63) NOTUMALDH1A1KDM4EMAPK1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE50050-E1 Pyrimidinedione compounds MyoKardia, Inc. (US) 2024-07-23 US claimed
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 US claimed
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-10-31 US claimed
EP-4217062-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN Pharmaceutica NV (BE) 2023-08-02 EP claimed
CN-116323557-A Cyclobutylamide monoacylglycerol lipase modulators 詹森药业有限公司 2023-06-23 CN claimed
US-20230165860-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2023-06-01 US claimed
WO-2023057548-A1 CCR6 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2023-04-13 WO claimed
CN-105980386-B Pyrazolo compounds and uses thereof 基因泰克公司 2021-08-13 CN claimed
CN-113164458-A Monoacylglycerol lipase modulators 詹森药业有限公司 2021-07-23 CN claimed
US-20200297726-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2020-09-24 US claimed
US-20060128715-A1 Oxime derivative hydroxyethylamine aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-06-15 US claimed
WO-2006027346-A2 NOVEL PYRAZOLOPYRIMIDINES ALTANA PHARMA AG (DE) 2006-03-16 WO claimed
WO-2006010094-A1 OXIME DERIVATIVE HYDROXYETHYLAMINE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-01-26 WO claimed
WO-2006010095-A2 OXIME DERIVATIVE SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS INC. (US) 2006-01-26 WO claimed
WO-2005087724-A2 SULPHONYLPYRROLES AS HDAC INHIBITORS ALTANA PHARMA AG (DE) 2005-09-22 WO claimed
US-20050148572-A1 Substituted diketopiperazines as oxytocin antagonists GLAXO GROUP LIMITED (GB) 2005-07-07 US claimed
CN-1606443-A Substituted diketopiperazines as oxytocin antagonists GLAXO GROUP LTD (GB) 2005-04-13 CN claimed
WO-2005000311-A1 SUBSTITUTED DIKETOPIPERAZINES FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA GLAXO GROUP LIMITED (GB) 2005-01-06 WO claimed
EP-1458393-A1 SUBSTITUTED DIKETOPIPERAZINES AS OXYTOCIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-09-22 EP claimed
WO-2003053443-A1 SUBSTITUTED DIKETOPIPERAZINES AS OXYTOCIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2003-07-03 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20050148572-A1 Substituted diketopiperazines as oxytocin antagonists OXTR, AVPR2, AVPR1B NOTUM 3055/4885ALDH1A1 3771/4885KDM4E 2899/4885
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP NOTUM 1133/4885ALDH1A1 472/4885KDM4E 3568/4885
US-20060128715-A1 Oxime derivative hydroxyethylamine aspartyl-protease inhibitors ASPH, DNPEP, APP NOTUM 698/4885ALDH1A1 1177/4885KDM4E 1374/4885
US-20230165860-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD NOTUM 3363/4885ALDH1A1 1556/4885KDM4E 2984/4885
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators MGLL, LPL, PNLIP NOTUM 1138/4885ALDH1A1 450/4885KDM4E 3494/4885
US-20200297726-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD NOTUM 3363/4885ALDH1A1 1556/4885KDM4E 2984/4885

“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.