SCHEMBL308522

SCHEMBL308522

O=c1ncc([N+](=O)[O-])c[nH]1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.38
NAMPT P43490 1/20 0.38
XDH P47989 1/20 0.38
PARP1 P09874 1/20 0.38
MAPT P10636 6/20 0.37
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
SLC2A1 P11166 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
PTPRC P08575 1/20 0.35
S100A4 P26447 1/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL5070333 0.78 MAPT (0.56) ALDH1A1CYP3A4XDHPARP1MAPT
SCHEMBL8751990 0.78 ALDH1A1 (0.39) ALDH1A1GLACYP3A4NAMPTXDH
SCHEMBL163689 0.67
SCHEMBL13292077 0.65 PTPRC (0.52) ALDH1A1CYP3A4MAPTADRA2AADRA2B
Ammonia Solution, Strong SCHEMBL30767694 0.65
SCHEMBL308403 0.65 ALDH1A1 (0.47) ALDH1A1GLACYP3A4NAMPTXDH
SCHEMBL10113803 0.64 MAPT (0.43) ALDH1A1CYP3A4XDHMAPTADRA2A
SCHEMBL438963 0.64 MAPT (0.64) ALDH1A1CYP3A4MAPTADRA2AADRA2B
SCHEMBL11747969 0.64 CYP19A1 (0.44) ALDH1A1MAPTADRA2AADRA2BADRA2C
SCHEMBL6781137 0.64 TSHR (0.46) ALDH1A1MAPTLMNAMEN1KMT2A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119409702-A Synthesis method of dipyridamole key intermediate 南通森萱药业有限公司 2025-02-11 CN claimed
CN-119409702-A Synthesis method of dipyridamole key intermediate 南通森萱药业有限公司 2025-02-11 CN disclosed
WO-2024017863-A1 NOVEL PYRIMIDINYL AND TRIAZINYL SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2024-01-25 WO disclosed
US-8093380-B2 Viricides, antitumor agents, anticancer agents PHARMASSET, INC. (US) 2012-01-10 US disclosed
WO-2010038803-A1 2-INDOLEACRYLAMIDE ANALOGUE 持田製薬株式会社 (JP) 2010-04-08 WO disclosed
EP-2166849-A1 SUBSTITUTED PYRAZOLE COMPOUNDS Miikana Therapeutics, Inc. (US) 2010-03-31 EP disclosed
WO-2010010934-A1 HETEROCYCLIDENE DERIVATIVE HAVING P-SUBSTITUTED ARYLACETAMIDE 持田製薬株式会社 (JP) 2010-01-28 WO disclosed
US-20090029992-A1 SUBSTITUTED PYRAZOLE COMPOUNDS MIIKANA THERAPEUTICS, INC. 2009-01-29 US disclosed
WO-2008154026-A1 SUBSTITUTED PYRAZOLE COMPOUNDS MIIKANA THERAPEUTICS, INC. (US) 2008-12-18 WO disclosed
EP-1545545-A4 COMPOUNDS WITH THE BICYCLO 4.2.1 NONANE SYSTEM FOR THE TREATMENT OF i FLAVIVIRIDAE /i INFECTIONS PHARMASSET INC (US) 2008-09-03 EP disclosed
EP-1545545-A2 COMPOUNDS WITH THE BICYCLO 4.2.1 NONANE SYSTEM FOR THE TREATMENT OF i FLAVIVIRIDAE /i INFECTIONS Pharmasset, Inc. (US) 2005-06-29 EP disclosed
US-20040082574-A1 Compounds with the bicyclo[4.2.1]nonane system for the treatment of flavivridae infections PHARMASSET, INC. 2004-04-29 US disclosed
WO-2004013300-A2 COMPOUNDS WITH THE BICYCLO[4.2.1]NONANE SYSTEM FOR THE TREATMENT OF FLAVIVIRIDAE INFECTIONS PHARMASSET INC. (US) 2004-02-12 WO 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 (2 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-20040082574-A1 Compounds with the bicyclo[4.2.1]nonane system for the treatment of flavivridae infections CYP4B1, HAVCR2, CYP2S1 ALDH1A1 1212/4885GLA 4126/4885CYP3A4 13/4885
US-20090029992-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AURKC, AURKA, AURKB ALDH1A1 3400/4885GLA 3124/4885CYP3A4 3733/4885

“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.