SCHEMBL672278

SCHEMBL672278

COc1n[nH]cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 1/20 0.40
MERTK Q12866 1/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
PRKDC P78527 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.37
TXNRD1 Q16881 2/20 0.36
PIN1 Q13526 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
G6PD P11413 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 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
SCHEMBL18418863 0.79 MAPT (0.42) ALDH1A1LMNAMAPTL3MBTL1SMN1; SMN2
SCHEMBL21847658 0.79 PDK1 (0.37) ALDH1A1TDP1LMNAKDM4EMAPT
SCHEMBL21805105 0.78 LMNA (0.47) ALDH1A1LMNAMAPTL3MBTL1TXNRD1
SCHEMBL27718447 0.77 GPR35 (0.34) ALDH1A1LMNAKDM4EMAPTL3MBTL1
SCHEMBL10781069 0.77 ALDH1A1 (0.45) ALDH1A1TDP1LMNAMERTKKDM4E
SCHEMBL20364258 0.76 ALDH1A1 (0.33) ALDH1A1LMNAKDM4EMAPTCYP3A4
SCHEMBL20516141 0.75 LMNA (0.33) ALDH1A1LMNAKDM4EMAPTCYP3A4
SCHEMBL25690402 0.74 MAPT (0.42) ALDH1A1TDP1LMNAMAPTL3MBTL1
SCHEMBL266568 0.74
SCHEMBL27786236 0.73 MAPT (0.43) ALDH1A1MAPTHTTKMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-217449821-U 3-methoxy-4-nitro-1H-pyrazole nitration mixed acid preparation device 上海晋鲁医药科技有限公司 2022-09-20 CN claimed
WO-2026103873-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF 杭州百新生物医药科技有限公司 2026-05-21 WO disclosed
US-12630539-B2 Amide compound, pharmaceutical composition and use thereof ARTIVILA (SHENZHEN) INNOVATION CENTER, LTD. (CN) 2026-05-19 US disclosed
US-20260055087-A1 INHIBITORS OF LRRK2 KINASE HALIA THERAPEUTICS INC (US) 2026-02-26 US disclosed
US-12559442-B2 Use of N-functionalized alkoxy pyrazole compounds as nitrification inhibitors BASF SE (DE) 2026-02-24 US disclosed
EP-4253375-B1 AMIDE COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF ARTIVILA SHENZHEN INNOVATION CENTER LTD (CN) 2026-01-07 EP disclosed
WO-2025264959-A1 SUBSTITUTED PYRAZOLOPYRIDINES AS PHOSPHOINOSIDIDE KINASE (PIK) MODULATORS RECURSION PHARMACEUTICALS, INC. (US) 2025-12-26 WO disclosed
EP-4665734-A1 CYCLIN-DEPENDENT KINASE (CDK2) INHIBITORS Novartis AG (CH) 2025-12-24 EP disclosed
WO-2025228892-A1 MONOARYL AND HETARYL SUBSTITUTED INDAZOLES AND BENZIMIDAZOLES AS STING ANTAGONISTS AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-11-06 WO disclosed
US-20250333398-A1 MONOARYL AND HETARYL SUBSTITUTED INDAZOLES AND BENZIMIDAZOLES AS STING ANTAGONISTS AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INT (DE) 2025-10-30 US disclosed
US-8569298-B2 Pyridine compounds ASTRAZENECA AB (SE) 2013-10-29 US disclosed
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2013-07-25 US disclosed
EP-2606050-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS Cellzome Limited (GB) 2013-06-26 EP disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US disclosed
EP-2491039-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2012-08-29 EP disclosed
WO-2012022681-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2012-02-23 WO disclosed
US-20110166139-A1 PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2011-07-07 US disclosed
WO-2011048082-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 WO disclosed
EP-2303861-A1 PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2011-04-06 EP disclosed
WO-2009153589-A1 PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2009-12-23 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 (7 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-12630539-B2 Amide compound, pharmaceutical composition and use thereof JAK2, JAK1, JAK3 ALDH1A1 3620/4885TDP1 4239/4885LMNA 4268/4885
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS JAK1, JAK3, JAK2 ALDH1A1 2233/4885TDP1 2346/4885LMNA 4606/4885
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 ALDH1A1 2345/4885TDP1 2639/4885LMNA 4624/4885
US-20260055087-A1 INHIBITORS OF LRRK2 KINASE LRRK2, SNCA, PARK7 ALDH1A1 2229/4885TDP1 250/4885LMNA 541/4885
US-20250333398-A1 MONOARYL AND HETARYL SUBSTITUTED INDAZOLES AND BENZIMIDAZOLES AS STING ANTAGONISTS AND THE USE THEREOF AS MEDICAMENT STING1, MAVS, TBK1 ALDH1A1 3967/4885TDP1 742/4885LMNA 1762/4885
US-12559442-B2 Use of N-functionalized alkoxy pyrazole compounds as nitrification inhibitors NAT1, CBR1, CBR3 ALDH1A1 1195/4885TDP1 1478/4885LMNA 1306/4885
US-20110166139-A1 PYRIDINE COMPOUNDS PTK2, PTK2B, PFKP ALDH1A1 2505/4885TDP1 2762/4885LMNA 2421/4885

“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.