SCHEMBL799239

SCHEMBL799239

O=C(c1cccnc1)n1ccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
APP P05067 1/20 0.52
GAA P10253 1/20 0.52
HCAR3 P49019 1/20 0.52
HCAR2 Q8TDS4 1/20 0.52
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50
SARM1 Q6SZW1 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
SIRT6 Q8N6T7 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
SIRT3 Q9NTG7 1/20 0.50
SIRT5 Q9NXA8 1/20 0.50
SIRT4 Q9Y6E7 1/20 0.50
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47

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
SCHEMBL1424751 0.84 CYP19A1 (0.47) TSHR
SCHEMBL1640959 0.82 ALDH1A1 (0.55) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL9807759 0.82 KDM4E (0.45) ALDH1A1PKM
SCHEMBL9807751 0.81 CYP19A1 (0.46)
SCHEMBL3273195 0.80 HCAR2 (0.43) ALDH1A1HCAR2TSHR
SCHEMBL25507636 0.79 CYP19A1 (0.54) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL1117958 0.79 CYP19A1 (0.51) ALDH1A1GAATSHRHDAC1HDAC6
SCHEMBL27566765 0.79 ALDH1A1 (0.43) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL7077757 0.77 CYP19A1 (0.38) ALDH1A1
SCHEMBL28886442 0.77 POLB (0.51) ALDH1A1GAAHCAR2TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118702621-A Preparation method of nikko rice 海南聚和春企业管理合伙企业(有限合伙) 2024-09-27 CN claimed
US-4166902-A ESTERIFICATION OF SOLUBLE STARCH WITH NICOTINOYLIMIDAZOLE; SUSTAINED RELEASE BY SLOW HYDROLYSIS IN BIOLOGICAL ENVIRONMENT FERRUTI PAOLO (IT) 1979-09-04 US claimed
CN-118702621-A Preparation method of nikko rice 海南聚和春企业管理合伙企业(有限合伙) 2024-09-27 CN disclosed
CN-118702621-A Preparation method of nikko rice 海南聚和春企业管理合伙企业(有限合伙) 2024-09-27 CN disclosed
US-11834416-B2 Cleavable agents BOARD OF TRUSTEES OF SOUTHERN ILLINOIS UNIVERSITY (US) 2023-12-05 US disclosed
US-20230150943-A1 CLEAVABLE AGENTS BOARD OF TRUSTEES OF SOUTHERN ILLINOIS UNIVERSITY (US) 2023-05-18 US disclosed
US-20200172493-A1 CLEAVABLE AGENTS BOARD OF TRUSTEES OF SOUTHERN ILLINOIS UNIVERSITY (US) 2020-06-04 US disclosed
CN-105085390-B A kind of preparation method of isoniazid 浙江新赛科药业有限公司 2018-04-20 CN disclosed
CN-107827687-A A kind of synthetic method of cold labeling chloramphenicol 山东辉璟生物医药科技有限公司 2018-03-23 CN disclosed
CN-105085390-A Preparation method of isoniazid ZHEJIANG SECOND PHARMA CO LTD 2015-11-25 CN disclosed
EP-2658839-B1 PROCESS FOR THE MANUFACTURE OF NICORANDIL PROCOS SPA (IT) 2014-10-22 EP disclosed
US-4596813-A Pyridylcarbonyl and thiocarbonyl derivatives useful as fungicides CHEVRON RESEARCH COMPANY (US) 1986-06-24 US disclosed
US-4588735-A Fungicidal (trihalophenoxy or trihalophenthio) alkylaminoalkyl pyridines and pyrroles CHEVRON RESEARCH COMPANY (US) 1986-05-13 US disclosed
US-4579856-A Fungicidal N-pyridyloxyalkyl amides CHEVRON RESEARCH COMPANY (US) 1986-04-01 US disclosed
US-4544661-A HORTICULTURE CHEVRON RESEARCH COMPANY (US) 1985-10-01 US disclosed
US-4532251-A N-substituted-N',N'-disubstituted glycinamide fungicides CHEVRON RESEARCH COMPANY (US) 1985-07-30 US disclosed
US-4504484-A Certain N,N-di-substituted-pyridine carboxamides, fungicidal compositions and fungicidal method of use CHEVRON RESEARCH COMPANY (US) 1985-03-12 US disclosed
US-4169923-A HIGH POLYMERS CONTAINING NICOTINIC ACID, PROCESS FOR THEIR PREPARATION AND THEIR USE FERRUTI PAOLO (IT) 1979-10-02 US disclosed
US-4166902-A ESTERIFICATION OF SOLUBLE STARCH WITH NICOTINOYLIMIDAZOLE; SUSTAINED RELEASE BY SLOW HYDROLYSIS IN BIOLOGICAL ENVIRONMENT FERRUTI PAOLO (IT) 1979-09-04 US disclosed
US-4067876-A SUSTAINED RELEASE FERRUTI PAOLO 1978-01-10 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 (3 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-20230150943-A1 CLEAVABLE AGENTS LGMN, CTSL, GZMB ALDH1A1 3728/4885APP 1339/4885GAA 86/4885
US-20200172493-A1 CLEAVABLE AGENTS LGMN, CTSL, GZMB ALDH1A1 3728/4885APP 1339/4885GAA 86/4885
US-11834416-B2 Cleavable agents LGMN, CTSL, GZMB ALDH1A1 3728/4885APP 1339/4885GAA 86/4885

“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.