Sugi Predict

Sugi Predict / Compounds / SCHEMBL540381

SCHEMBL540381

SCHEMBL540381

Cc1c[n+]([O-])c(C)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ S1PR4 O95977 1/20 0.45
▸ S1PR1 P21453 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ TSHR P16473 6/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ RECQL P46063 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ GPR35 Q9HC97 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ CRHBP P24387 1/20 0.37

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
SCHEMBL9455823 0.82 VCAM1 (0.44) MAPTKDM4EHTTNPSR1NPC1
SCHEMBL5258907 0.81 ESPL1 (0.47) MAPTKDM4EHTTNPSR1NPC1
SCHEMBL928995 0.81 MAPT (0.46) MAPTKDM4EHTTNPSR1NPC1
SCHEMBL2596740 0.81 CYP1A2 (0.46) MAPTKDM4EHTTNPSR1NPC1
SCHEMBL624089 0.81 TSHR (0.42) MAPTKDM4EHTTNPSR1NPC1
SCHEMBL29671003 0.81 TSHR (0.42) MAPTKDM4EHTTNPSR1NPC1
SCHEMBL4893554 0.81 TSHR (0.50) MAPTKDM4EHTTNPSR1NPC1
SCHEMBL4773718 0.79 MAPT (0.46) MAPTKDM4EHTTNPSR1NPC1
SCHEMBL10664976 0.78 ALDH1A1 (0.44) MAPTKDM4EHTTNPSR1NPC1
SCHEMBL7035672 0.77 TSHR (0.44) MAPTKDM4EHTTNPSR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3318561-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2021-12-22 — — EP disclosed
US-10975091-B2 Pyridine derivative ASTELLAS PHARMA INC. (JP) 2021-04-13 — — US disclosed
EP-3150581-B1 PYRIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2020-04-15 — — EP disclosed
US-20200055868-A1 PYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2020-02-20 — — US disclosed
US-10562916-B2 Substituted quinoxalines as PDE-10 inhibitors SUNOVION PHARMACEUTICALS, INC. (US) 2020-02-18 — — US disclosed
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 — — EP disclosed
US-10421762-B2 Pyridine derivative ASTELLAS PHARMA INC. (JP) 2019-09-24 — — US disclosed
EP-2576540-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-09-04 — — EP disclosed
CN-106458902-B Pyridine derivate 安斯泰来制药株式会社 2019-04-05 — — CN disclosed
US-20180327418-A1 PYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2018-11-15 — — US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 — — US disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 — — WO disclosed
EP-0649414-B1 OPIOID DIARYLMETHYLPIPERAZINES AND PIPERIDINES ARDENT PHARMACEUTICALS INC (US) 2003-04-16 — — EP disclosed
US-5854249-A Opioid diarylmethylpiperazines and piperidines DELTA PHARMACEUTICALS, INC. (US) 1998-12-29 — — US disclosed
US-5658908-A RECEPTOR BINDING SPECIES FOR MEDIATING ANALGESIA, COMBATTING DRUG ADDICTION, DRUG OVERDOSE DELTA PHARMACEUTICALS, INC. (US) 1997-08-19 — — US disclosed
EP-0649414-A1 OPIOID DIARYLMETHYLPIPERAZINES AND PIPERIDINES THE WELLCOME FOUNDATION LIMITED (GB) 1995-04-26 — — EP disclosed
WO-1993015062-A1 OPIOID DIARYLMETHYLPIPERAZINES AND PIPERIDINES THE WELLCOME FOUNDATION LIMITED (GB) 1993-08-05 — — WO disclosed
US-4981861-A ANTIULCER HOFFMANN-LA ROCHE INC. (US) 1991-01-01 — — US disclosed
US-4634710-A ANTIULCER, ANTISECRETORY HOFFMANN-LA ROCHE INC. (US) 1987-01-06 — — US disclosed
CN-85103357-A The method for making of tricyclic imidazole derivatives and acid salt thereof — 1986-11-12 — — CN 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 (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-20200055868-A1 PYRIDINE DERIVATIVE LAP3, PREP, DNPEP MAPT 2265/4885KDM4E 1193/4885HTT 3047/4885
US-10975091-B2 Pyridine derivative LAP3, PREP, DNPEP MAPT 2265/4885KDM4E 1193/4885HTT 3047/4885
US-10562916-B2 Substituted quinoxalines as PDE-10 inhibitors PDE4A, PDE2A, PDE9A MAPT 2899/4885KDM4E 1397/4885HTT 2556/4885
US-20180327418-A1 PYRIDINE DERIVATIVE LAP3, PREP, DNPEP MAPT 2265/4885KDM4E 1193/4885HTT 3047/4885
US-10421762-B2 Pyridine derivative LAP3, PREP, DNPEP MAPT 2265/4885KDM4E 1193/4885HTT 3047/4885
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 MAPT 4333/4885KDM4E 1444/4885HTT 3487/4885

“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.