SCHEMBL4874040

SCHEMBL4874040

Nc1ncnc(N)c1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.58
HTT P42858 8/20 0.58
MITF O75030 2/20 0.58
KDM4E B2RXH2 1/20 0.58
LMNA P02545 8/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
KMT2A Q03164 2/20 0.51
NPC1 O15118 2/20 0.51
NOD2 Q9HC29 1/20 0.51
RAB9A P51151 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 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
SCHEMBL17347507 0.85 MAPT (0.54) MAPTHTTMITFKDM4ELMNA
SCHEMBL788257 0.85 HTT (0.54) MAPTHTTMITFKDM4ELMNA
SCHEMBL4872849 0.85 MAPT (0.50) MAPTHTTMITFKDM4ELMNA
SCHEMBL23634773 0.85 MAPT (0.50) MAPTHTTMITFKDM4ELMNA
SCHEMBL12832961 0.80 MAPT (0.60) MAPTHTTMITFKDM4ELMNA
SCHEMBL10968449 0.80 MAPT (0.61) MAPTHTTMITFKDM4ELMNA
SCHEMBL10961504 0.75 PRMT1 (0.61) MAPTHTTMITFKDM4ELMNA
SCHEMBL14027291 0.74 HTT (0.68) MAPTHTTLMNASMN1; SMN2KMT2A
SCHEMBL8057954 0.74 HTT (0.61) MAPTHTTLMNASMN1; SMN2KMT2A
SCHEMBL3688848 0.73 MAPT (0.47) MAPTHTTMITFKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040204420-A1 For therapy of diseases and disorders associated with unwanted or aberrant gene expression NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-10-14 US claimed
WO-2004043417-A2 COMPOSITION FOR DYEING KERATIN FIBRES CONTAINING A DYE PRECURSOR AND AN ENZYME WITH NITROREDUCTASE ACTIVITY L'OREAL (FR) 2004-05-27 WO claimed
WO-2004042002-A2 COMPOUNDS FOR MODULATING RNA INTERFERENCE UNIVERSITY OF MASSACHUSETTS (US) 2004-05-21 WO claimed
CN-110157722-B Recombinant strain and construction method and application thereof 廊坊梅花生物技术开发有限公司 2025-05-16 CN disclosed
CN-118206555-B 3, 8-Disubstituted adenine derivative, preparation method and application thereof 海赋药业(海南)有限责任公司 2024-11-22 CN disclosed
CN-118206555-A 3, 8-Disubstituted adenine derivative, preparation method and application thereof 海赋药业(海南)有限责任公司 2024-06-18 CN disclosed
CN-118084914-A Synthesis method of medicinal adenine phosphate 天津力生制药股份有限公司 2024-05-28 CN disclosed
CN-112574176-B Heteroaryl compound and application thereof 隆泰申医药科技(南京) 有限公司 2024-03-15 CN disclosed
CN-115443277-A Compounds as kinase inhibitors 重庆复尚源创医药技术有限公司 2022-12-06 CN disclosed
CN-209305612-U A kind of adenine transport vehicle that protectiveness is strong 江西诚志生物工程有限公司 2019-08-27 CN disclosed
CN-209302738-U Mixing arrangement is used in a kind of production of adenine 江西诚志生物工程有限公司 2019-08-27 CN disclosed
WO-2004002990-A2 SYNTHESIS OF PURINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-01-08 WO disclosed
EP-0126935-B1 HYDROCARBON OXIDATE COMPOSITION ASHLAND OIL, INC. (US) 1987-10-07 EP disclosed
US-4491535-A LUBRICANTS, GREASES, OLEFIN COPOLYMER, DIAMINE BLEND ASHLAND OIL, INC. (US) 1985-01-01 US disclosed
EP-0126935-A1 Hydrocarbon oxidate composition ASHLAND OIL, INC. (US) 1984-12-05 EP disclosed
US-4388244-A REACTION PRODUCT WITH POLYAMINE; CORROSION INHIBITOR ASHLAND OIL, INC. (US) 1983-06-14 US disclosed
EP-0068199-A1 Petroleum or hydrocarbon wax oxidate composition ASHLAND OIL, INC. (US) 1983-01-05 EP disclosed
US-4055411-A 5-NITRO-PYRIMIDINES CIBA-GEIGY CORPORATION (US) 1977-10-25 US disclosed
US-4014677-A HERBICIDES CIBA-GEIGY CORPORATION (US) 1977-03-29 US disclosed
US-3948914-A PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1976-04-06 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-20040204420-A1 For therapy of diseases and disorders associated with unwanted or aberrant gene expression SNRPE, L3MBTL1, ATF4 MAPT 2205/4885HTT 247/4885MITF 309/4885

“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.