SCHEMBL3778792

SCHEMBL3778792

Cc1cc(C(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.55
MAPT P10636 4/20 0.53
GAA P10253 2/20 0.52
ALDH1A1 P00352 5/20 0.52
TSHR P16473 3/20 0.52
CYP3A4 P08684 3/20 0.52
HPGD P15428 2/20 0.52
ALOX15 P16050 1/20 0.52
HIF1A Q16665 1/20 0.52
TXNRD1 Q16881 1/20 0.52
TXNRD3 Q86VQ6 1/20 0.52
TXNRD2 Q9NNW7 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KDM4E B2RXH2 1/20 0.51
HSD17B10 Q99714 1/20 0.48
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 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
SCHEMBL30822033 1.00 MAPK1 (0.55) MAPK1MAPTGAAALDH1A1TSHR
SCHEMBL4416018 0.87 MAPK1 (0.57) MAPK1MAPTGAAALDH1A1TSHR
SCHEMBL29910964 0.85 MAPT (0.50) MAPK1MAPTGAAALDH1A1TSHR
SCHEMBL6690245 0.85 MAPT (0.50) MAPK1MAPTGAAALDH1A1TSHR
SCHEMBL11173503 0.84 MEN1 (0.47) MAPK1MAPTGAAALDH1A1TSHR
SCHEMBL30934663 0.84 MEN1 (0.47) MAPK1MAPTGAAALDH1A1TSHR
SCHEMBL29942185 0.84 ALDH1A1 (0.60) MAPK1MAPTGAAALDH1A1TSHR
SCHEMBL7240751 0.84 ALDH1A1 (0.60) MAPK1MAPTGAAALDH1A1TSHR
SCHEMBL27705161 0.84 TSHR (0.51) MAPK1MAPTALDH1A1TSHRCYP3A4
SCHEMBL550419 0.83 TSHR (0.44) MAPK1MAPTGAAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4712967-A2 G-PROTEIN COUPLED RECEPTOR ANTAGONIST Enveda Therapeutics, Inc. (US) 2026-03-25 EP disclosed
US-20250326777-A1 COMPOUNDS, COMPOSITIONS AND METHODS THEREOF HEPAITECH BEIJING BIOPHARMA TECH CO LTD (CN) 2025-10-23 US disclosed
WO-2024239000-A2 G-PROTEIN COUPLED RECEPTOR ANTAGONIST ENVEDA THERAPEUTICS, INC. (US) 2024-11-21 WO disclosed
US-20230225201-A1 Organic Light Emitting Diode and Device Comprising the Same NOVALED GMBH (DE) 2023-07-13 US disclosed
CN-113387823-B Anthranilic acid and derivative thereof, and synthetic method and application thereof 华东师范大学 2022-07-08 CN disclosed
CN-113387823-A Anthranilic acid and derivative thereof, and synthetic method and application thereof 华东师范大学 2021-09-14 CN disclosed
CN-107207466-B Bicyclic compounds as pest control agents 拜耳作物科学股份公司 2020-09-08 CN disclosed
EP-3227274-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2019-07-03 EP disclosed
EP-3052495-B1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-06-26 EP disclosed
US-10131649-B2 Bicyclic compounds as pest control agents BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-11-20 US disclosed
EP-0129528-A1 Process for the preparation of nitro-substituted benzotrifluoride compounds MONSANTO COMPANY (US) 1984-12-27 EP disclosed
US-4467125-A HERBICIDES MONSANTO COMPANY (US) 1984-08-21 US disclosed
US-4388472-A Substituted diphenyl ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-06-14 US disclosed
EP-0023100-B1 HERBICIDAL COMPOSITIONS COMPRISING A DIPHENYL ETHER COMPOUND IN ADMIXTURE WITH ANOTHER HERBICIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-11-10 EP disclosed
EP-0023100-A1 Herbicidal compositions comprising a diphenyl ether compound in admixture with another herbicide IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-01-28 EP disclosed
US-4224340-A Anti-inflammatory compositions containing α-phenyl-N-phenylnitrone compounds WILLIAM H. RORER, INC. (US) 1980-09-23 US disclosed
US-4214003-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1980-07-22 US disclosed
US-4197314-A WITH A DIPHENYL NITRONE WILLIAM H. RORER, INC. (US) 1980-04-08 US disclosed
US-4153722-A ANTIINFLAMMATORY, A-PHENYL-N-PHENYLNITRONE WILLIAM H. RORER, INC. (US) 1979-05-08 US disclosed
US-4132737-A ENZYME INHIBITORS ELI LILLY AND COMPANY (US) 1979-01-02 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 (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-10131649-B2 Bicyclic compounds as pest control agents DDT, BCHE, BAK1 MAPK1 3503/4885MAPT 3026/4885GAA 2397/4885
US-20250326777-A1 COMPOUNDS, COMPOSITIONS AND METHODS THEREOF MRGPRX4, MRGPRX1, MRGPRX2 MAPK1 2603/4885MAPT 2953/4885GAA 169/4885

“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.