SCHEMBL187850

SCHEMBL187850

COc1ccncc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
TDP1 Q9NUW8 1/20 0.56
GAA P10253 2/20 0.54
HTT P42858 2/20 0.54
MAPK1 P28482 1/20 0.51
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
RAB9A P51151 2/20 0.44
NTSR1 P30989 1/20 0.44
MEN1 O00255 1/20 0.44
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43

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
Hydrochloric Acid SCHEMBL3601018 0.98 ALDH1A1 (0.55) ALDH1A1TDP1GAAHTTMAPK1
SCHEMBL4594016 0.91 ALDH1A1 (0.47) ALDH1A1TDP1GAAHTTMAPK1
SCHEMBL2241497 0.85 ALDH1A1 (0.56) ALDH1A1TDP1GAAHTTMAPK1
SCHEMBL3488943 0.81 ALDH1A1 (0.50) ALDH1A1GAAHTTMAPK1KMT2A
SCHEMBL6117681 0.81 PDK1 (0.47) ALDH1A1TDP1GAAHTTMAPK1
SCHEMBL19172441 0.80 NPC1 (0.50) ALDH1A1GAAHTTMAPK1KMT2A
Hydrochloric Acid SCHEMBL3276016 0.80 ALDH1A1 (0.49) ALDH1A1GAAHTTMAPK1KMT2A
Hydrochloric Acid SCHEMBL2967978 0.80 LMNA (0.49) ALDH1A1GAAHTTMAPK1KMT2A
SCHEMBL5656353 0.78 MAPT (0.56) ALDH1A1TDP1GAAHTTMAPK1
SCHEMBL16702893 0.77 ALDH1A1 (0.41) ALDH1A1GAAHTTMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240101515-A1 SYNTHESIS OF 3-NITRO-N-(2,2,2-TRIFLUOROETHYL)-4-PYRIDINAMINE Janssen Sciences Ireland Unlimited Company (IE) 2024-03-28 US claimed
EP-4051663-B1 SYNTHESIS OF 3-NITRO-N-(2,2,2-TRIFLUOROETHYL)-4-PYRIDINAMINE JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2024-02-21 EP claimed
CN-114630820-B Synthesis of 3-nitro-N- (2, 2-trifluoroethyl) -4-pyridineamine 杨森科学爱尔兰无限公司 2023-10-31 CN claimed
CN-114630820-A Synthesis of 3-nitro-N- (2,2, 2-trifluoroethyl) -4-pyridylamine 杨森科学爱尔兰无限公司 2022-06-14 CN claimed
CN-114315706-A Synthetic method of 3, 4-diaminopyridine 河北一品生物医药有限公司 2022-04-12 CN claimed
WO-2021083996-A1 SYNTHESIS OF 3-NITRO-N-(2,2,2-TRIFLUOROETHYL)-4-PYRIDINAMINE Janssen Sciences Ireland Unlimited Company (IE) 2021-05-06 WO claimed
EP-3980412-B1 1-PYRAZOLYL, 5-, 6- DISUBSTITUTED INDAZOLE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2025-08-13 EP disclosed
EP-3321268-B1 BICYCLIC HETEROARYL DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF AGENCY SCIENCE TECH & RES (SG) 2025-06-04 EP disclosed
US-12319671-B2 1-pyrazolyl, 5-, 6-disubstituted indazole derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof MERCK SHARP & DOHME LLC (US) 2025-06-03 US disclosed
WO-2025059074-A1 BICYCLIC COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2025-03-20 WO disclosed
CN-118530172-A Pd for selectively recognizing 1, 4-benzoquinone2L4Metal organic molecular cage and preparation method thereof 四川大学 2024-08-23 CN disclosed
US-20240109894-A1 SYNTHESIS OF 3-({5-CHLORO-1-[3-(METHYLSULFONYL)PROPYL]-1H-INDOL-2-YL} METHYL)-1-(2,2,2-TRIFLUOROETHYL)-1,3-DIHYDRO-2H-IMIDAZO[4,5-C]PYRIDIN-2-ONE JOHNSON & JOHNSON (CHINA) INVESTMENT LTD. (CN) 2024-04-04 US disclosed
US-20240101515-A1 SYNTHESIS OF 3-NITRO-N-(2,2,2-TRIFLUOROETHYL)-4-PYRIDINAMINE Janssen Sciences Ireland Unlimited Company (IE) 2024-03-28 US disclosed
US-5723468-A COGNITION ACTIVATORS FOR MEMOY LOSS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-03 US disclosed
US-5698675-A AMIDATION; ESTERIFICATION RESEARCH CORPORATION TECH., INC. (US) 1997-12-16 US disclosed
US-5644029-A TRIAZOLO-PYRIDINE HETEROCYCLIC COMPOUNDS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-07-01 US disclosed
US-5580981-A YELLOW INDICATORS FADING TO COLORLESS UPON COMPLETION OF THE ACYLATION STEP IN AMIDE FORMATION; REACTION ACCELERATORS; LOWERS RACEMIZATION RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1996-12-03 US disclosed
US-5571819-A Imidazopyridines as muscarinic agents WYETH 1996-11-05 US disclosed
WO-1994007910-A1 NEW REAGENTS FOR PEPTIDE COUPLINGS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1994-04-14 WO disclosed
US-5254592-A Multiply substituted anilines, phenols and pyridines-immunomodulating agents STERLING DRUG INC. (US) 1993-10-19 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-20240109894-A1 SYNTHESIS OF 3-({5-CHLORO-1-[3-(METHYLSULFONYL)PROPYL]-1H-INDOL-2-YL} METHYL)-1-(2,2,2-TRIFLUOROETHYL)-1,3-DIHYDRO-2H-IMIDAZO[4,5-C]PYRIDIN-2-ONE HTR3C, MECP2, CDK2 ALDH1A1 1540/4885TDP1 3014/4885GAA 4381/4885
US-20240101515-A1 SYNTHESIS OF 3-NITRO-N-(2,2,2-TRIFLUOROETHYL)-4-PYRIDINAMINE NNMT, DPYD, PNMT ALDH1A1 2394/4885TDP1 2120/4885GAA 3506/4885
US-12319671-B2 1-pyrazolyl, 5-, 6-disubstituted indazole derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof LRRK2, PARK7, BRSK2 ALDH1A1 2044/4885TDP1 1070/4885GAA 968/4885

“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.