Sugi Predict

Sugi Predict / Compounds / SCHEMBL131220

SCHEMBL131220

SCHEMBL131220

[CH]=Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.55
▸ CA12 O43570 1/20 0.51
▸ SOS1 Q07889 1/20 0.51
▸ XDH P47989 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ MAOB P27338 1/20 0.50
▸ ERN1 O75460 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ MEN1 O00255 6/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 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
SCHEMBL8299858 0.83 MAPT (0.55) MAPTCA12SOS1XDHNPSR1
SCHEMBL14935499 0.82 MAPT (0.69) MAPTCA12SOS1NPSR1MAOB
SCHEMBL114440 0.82 MAPT (0.58) MAPTCA12SOS1XDHNPSR1
SCHEMBL11049170 0.82 MAPT (0.69) MAPTCA12SOS1NPSR1MAOB
SCHEMBL9978289 0.82 MAPT (0.69) MAPTCA12SOS1NPSR1MAOB
SCHEMBL11234178 0.80 ERN1 (0.71) MAPTERN1MEN1KMT2ATDP1
SCHEMBL11296000 0.80 MAPT (0.67) MAPTCA12SOS1NPSR1MAOB
2-Nitrobenzaldehyde SCHEMBL29672618 0.80 ERN1 (0.66) MAPTCA12SOS1XDHNPSR1
SCHEMBL11299049 0.80 MAPT (0.67) MAPTCA12SOS1NPSR1MAOB
2-Nitrobenzaldehyde SCHEMBL5654 0.80 ERN1 (0.66) MAPTCA12SOS1XDHNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3424926-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINS, THEIR PRODUCTION AND UTILISATION AS MEDICINE Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2019-01-09 — — EP claimed
CN-105001222-A New 8-(3-amino-piperidin-1-yl)-xanthine derivatives, preparing method and uses thereof as a pharmaceutic preparation BOEHRINGER INGELHEIM PHARMA 2015-10-28 — — CN claimed
CN-102964347-A 8-[3-amino-piperidin-1-yl]-xanthines, the production thereof and the use of the same as medicaments BOEHRINGER INGELHEIM PHARMA 2013-03-13 — — CN claimed
EP-0885192-B1 DIHYDROPYRIDINE-, PYRIDINE-, BENZOPYRAN- ONE- AND TRIAZOLOQUINAZOLINE DERIVATIVE, THEIR PREPARATION AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS US OF AMERICA REPRESENTED BY THE SECRETARY DEPT OF HEALTH AND HUMAN SERVICES (US) 2012-03-07 — — EP claimed
EP-2308878-A2 8-[3-amino-piperidin-1-yl]-xanthines, the production thereof and use as medicaments Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-04-13 — — EP claimed
CN-101503408-A 8-(3-amino-piperidin-1-yl)-xanthines BOEHRINGER INGELHEIM PHARMA (DE) 2009-08-12 — — CN claimed
EP-2060573-A2 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-05-20 — — EP claimed
EP-2058311-A2 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-05-13 — — EP claimed
JP-4233524-B2 — — 2009-03-04 — — JP claimed
US-20080255159-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-10-16 — — US claimed
US-4595532-A N-(substituted-methyl)-azetidin-2-ones UNIVERSITY OF NOTRE DAME DU LAC (US) 1986-06-17 — — US claimed
EP-0073406-B1 WATER-SOLUBLE MONOAZO PYRAZOLONE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1985-03-20 — — EP claimed
EP-0116432-A2 Improvements in or relating to N-(substituted-methyl)-azetidin-2-ones THE UNIVERSITY OF NOTRE DAME DU LAC (US) 1984-08-22 — — EP claimed
US-4462992-A ANTITUMOR AND ANTICARCINOGENIC AGENTS RESEARCH CORPORATION (US) 1984-07-31 — — US claimed
EP-0100363-A4 NITROIMIDAZOLE RADIOSENSITIZERS AND PHARMACEUTICAL COMPOSITIONS THEREOF. RESEARCH CORP (US) 1984-06-13 — — EP claimed
EP-0100363-A1 NITROIMIDAZOLE RADIOSENSITIZERS AND PHARMACEUTICAL COMPOSITIONS THEREOF. RESEARCH CORP (US) 1984-02-15 — — EP claimed
WO-1983002774-A1 NITROIMIDAZOLE RADIOSENSITIZERS AND COMPOSITION THEREOF RESEARCH CORP (US) 1983-08-18 — — WO claimed
US-4346076-A Bis-tetrazoylmethyl substituted cephalosporin antibiotics ELI LILLY AND COMPANY (US) 1982-08-24 — — US claimed
EP-0048169-A2 Bis-tetrazoylmethyl substituted cephalosporin antibiotics, their preparation and pharmaceutical formulations containing them ELI LILLY AND COMPANY (US) 1982-03-24 — — EP claimed
US-3941853-A HIGH ENERGY EXPLOSIVE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1976-03-02 — — US 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 (1 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-20080255159-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 MAPT 423/4885CA12 2395/4885SOS1 4146/4885

“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.

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