Sugi Predict

Sugi Predict / Compounds / SCHEMBL7670367

SCHEMBL7670367

SCHEMBL7670367

[c]1nc2c(-c3nccc4ccccc34)cccc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ BCHE P06276 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ MAPK1 P28482 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAOA P21397 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36

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
SCHEMBL7754182 0.82 KDM4E (0.37) MAPTKDM4ERAB9AL3MBTL1KMT2A
SCHEMBL2679046 0.77 KDM4E (0.40) MAPTKDM4EALDH1A1HSD17B10
SCHEMBL158912 0.75 BCHE (0.58) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL29986041 0.75 BCHE (0.58) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL10411212 0.75 — —
SCHEMBL7077778 0.74 MAPT (0.50) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL30332338 0.73 BCHE (0.57) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL30332586 0.73 BCHE (0.57) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL20237396 0.73 BCHE (0.57) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL31011155 0.73 BCHE (0.57) MAPTKDM4ENPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4355746-A1 (THI)OXAZOLINE PESTICIDES Elanco Tiergesundheit AG (CH) 2024-04-24 — — EP disclosed
EP-4355735-A1 ISOXAZOLINE PESTICIDES Elanco Tiergesundheit AG (CH) 2024-04-24 — — EP disclosed
EP-4255911-A1 BICYCLIC DERIVATIVES Elanco Tiergesundheit AG (CH) 2023-10-11 — — EP disclosed
WO-2022263573-A1 ISOXAZOLINE PESTICIDES ELANCO TIERGESUNDHEIT AG (US) 2022-12-22 — — WO disclosed
WO-2022263530-A1 (THI)OXAZOLINE PESTICIDES ELANCO TIERGESUNDHEIT AG (US) 2022-12-22 — — WO disclosed
WO-2022117783-A1 BICYCLIC DERIVATIVES ELANCO TIERGESUNDHEIT AG (CH) 2022-06-09 — — WO disclosed
EP-3897842-A1 BICYCLIC DERIVATIVES Elanco Tiergesundheit AG (CH) 2021-10-27 — — EP disclosed
EP-3897843-A1 BICYCLIC DERIVATIVES Elanco Tiergesundheit AG (CH) 2021-10-27 — — EP disclosed
WO-2021127188-A1 ISOXAZOLINE DERIVATIVES AS PESTICIDES ELANCO TIERGESUNDHEIT AG (CH) 2021-06-24 — — WO disclosed
US-20210188789-A1 ISOXAZOLINE DERIVATIVES ELANCO TIERGESUNDHEIT AG 2021-06-24 — — US disclosed
US-20150224113-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2015-08-13 — — US disclosed
WO-2015095728-A1 TETRAHYDROPYRIDOPYRAZINES MODULATORS OF GPR6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-25 — — WO disclosed
US-20150175602-A1 TETRAHYDROPYRIDOPYRAZINES MODULATORS OF GPR6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-25 — — US disclosed
EP-2882722-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS Envoy Therapeutics Inc. (US) 2015-06-17 — — EP disclosed
US-9040522-B2 6-(5-hydroxy-1H-pyrazol-1-yl)nicotinamide inhibitors of PHD TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-26 — — US disclosed
US-20140296200-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2014-10-02 — — US disclosed
WO-2014160810-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE DERIVATIVES AND THEIR USE AS PHD INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-10-02 — — WO disclosed
WO-2014028479-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. (US) 2014-02-20 — — WO disclosed
US-6492351-B1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith ADOLOR CORPORATION 2002-12-10 — — US disclosed
US-20020103164-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith ADOLOR CORPORATION 2002-08-01 — — 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-20150224113-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD SIRT1, SIRT3, SIRT5 MAPT 3997/4885KDM4E 604/4885NPC1 910/4885
US-20150175602-A1 TETRAHYDROPYRIDOPYRAZINES MODULATORS OF GPR6 GPR6, GPR52, GPR65 MAPT 2551/4885KDM4E 3463/4885NPC1 1033/4885
US-20020103164-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith OPRK1, OPRD1, HRH4 MAPT 3158/4885KDM4E 1598/4885NPC1 1013/4885
US-20140296200-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD HIF1AN, EGLN3, EGLN2 MAPT 3539/4885KDM4E 130/4885NPC1 1004/4885
US-20210188789-A1 ISOXAZOLINE DERIVATIVES CYP3A7, CYP4X1, SIRT7 MAPT 3340/4885KDM4E 1510/4885NPC1 2405/4885

“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.