SCHEMBL2643864

SCHEMBL2643864

CC(=O)Nc1ccc(C(C)=O)cc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.68
MAPT P10636 3/20 0.64
NPSR1 Q6W5P4 1/20 0.64
HTT P42858 1/20 0.61
HCAR3 P49019 7/20 0.56
POLB P06746 2/20 0.53
PKM P14618 1/20 0.53
AKR1C3 P42330 2/20 0.52
AKR1C2 P52895 2/20 0.52
ABCB1 P08183 1/20 0.52
ABCC1 P33527 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
ALDH3A1 P30838 1/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL29793669 1.00 KMT2A (0.68) KMT2AMAPTNPSR1HTTHCAR3
SCHEMBL3613079 0.89 HCAR3 (0.72) KMT2AMAPTNPSR1HCAR3MEN1
SCHEMBL6462358 0.88 HCAR3 (0.68) KMT2AMAPTHTTHCAR3ABCB1
SCHEMBL3620745 0.88 KMT2A (0.65) KMT2AMAPTNPSR1HTTHCAR3
SCHEMBL2690814 0.87 HTT (0.54) KMT2AMAPTNPSR1HTTHCAR3
SCHEMBL9137225 0.86 KMT2A (0.76) KMT2AMAPTNPSR1HTTHCAR3
SCHEMBL973813 0.85 HCAR3 (0.77) KMT2AMAPTHTTHCAR3AKR1C3
SCHEMBL12426042 0.85 HTT (0.82) KMT2AMAPTNPSR1HTTPOLB
SCHEMBL9197268 0.85 KMT2A (0.62) KMT2AMAPTNPSR1HTTHCAR3
SCHEMBL11707399 0.85 KMT2A (0.62) KMT2AMAPTNPSR1HTTHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111718503-B Proton exchange membrane material of sulfonated calixarene grafted polybenzimidazole and preparation method thereof 深圳市燃气集团股份有限公司 2022-10-04 CN disclosed
CN-108929263-B Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-07-22 CN disclosed
CN-106008552-B Benzo [ e ] pyrazolo [1,5-c ] [1,3] oxazine compound and application thereof 南京圣和药业股份有限公司 2020-08-21 CN disclosed
CN-105985355-B Fused tricyclic hepatitis virus inhibitor and application thereof 南京圣和药业股份有限公司 2020-05-05 CN disclosed
CN-111108092-A Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2020-05-05 CN disclosed
CN-1194968-C Aromatic tetramine compound containing pyridine structure and preparation method and use thereof INST OF CHEMICALS CAS (CN) 2005-03-30 CN disclosed
CN-1502607-A Aromatic tetramine compound containing pyridine structure and preparation method and use thereof 中国科学院化学研究所 2004-06-09 CN disclosed
EP-0882707-B1 NOVEL TRICYCLIC COMPOUNDS AND DRUG COMPOSITIONS CONTAINING THE SAME ASAHI CHEMICAL IND (JP) 2003-10-08 EP disclosed
US-20030139475-A1 Novel tricyclic compounds and drug compositions containing same ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2003-07-24 US disclosed
US-6545053-B1 Aminoethoxyfluorene derivatives are beta-3 adrenaline receptor agonists and are useful as drugs for the treatment and prevention of diabetes, obesity, hyperlipemia, etc. ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2003-04-08 US disclosed
US-4401817-A ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1983-08-30 US disclosed
US-4338315-A RHINOVIRUSES ELI LILLY AND COMPANY (US) 1982-07-06 US disclosed
US-4338329-A COMBATTING RHINOVIRUSES ELI LILLY AND COMPANY (US) 1982-07-06 US disclosed
US-4293558-A Antiviral thiazolinyl benzimidazoles and derivatives ELI LILLY AND COMPANY (US) 1981-10-06 US disclosed
US-4289782-A PARTICULARLY FOR INHIBITING GROWTH OF RHINOVIRUSES ELI LILLY AND COMPANY (US) 1981-09-15 US disclosed
US-4230868-A α-Alkyl-α-hydroxybenzyl-substituted 1-sulfonylbenzimidazoles ELI LILLY AND COMPANY (US) 1980-10-28 US disclosed
US-4216313-A Antiviral thiazinyl benzimidazoles ELI LILLY AND COMPANY (US) 1980-08-05 US disclosed
US-4174454-A VIRICIDES ELI LILLY AND COMPANY (US) 1979-11-13 US disclosed
US-4150028-A Antiviral thiazolinyl benzimidazoles ELI LILLY AND COMPANY (US) 1979-04-17 US disclosed
US-4118742-A VIRICIDES ELI LILLY AND COMPANY (US) 1978-10-03 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 (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-20030139475-A1 Novel tricyclic compounds and drug compositions containing same ADRB3, MC2R, NR3C1 KMT2A 1725/4885MAPT 4602/4885NPSR1 89/4885

“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.