SCHEMBL310839

SCHEMBL310839

CCc1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.60
ATM Q13315 1/20 0.60
ALDH1A1 P00352 8/20 0.49
MAPT P10636 5/20 0.49
MAPK1 P28482 1/20 0.49
SNCA P37840 3/20 0.44
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
HSPB1 P04792 2/20 0.41
PDE7A Q13946 1/20 0.41
PDK1 Q15118 1/20 0.41
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 2/20 0.40
HIF1A Q16665 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL29362511 1.00 TDP1 (0.60) TDP1ATMALDH1A1MAPTMAPK1
SCHEMBL311445 0.87 ATM (0.55) TDP1ATMALDH1A1MAPTMAPK1
SCHEMBL13262511 0.84 ATM (0.55) TDP1ATMALDH1A1MAPTMAPK1
SCHEMBL525939 0.83 TDP1 (0.58) TDP1ATMALDH1A1MAPTMAPK1
SCHEMBL2891144 0.83 TDP1 (0.58) TDP1ATMALDH1A1MAPTMAPK1
SCHEMBL30800770 0.83 TDP1 (0.58) TDP1ATMALDH1A1MAPTMAPK1
SCHEMBL10757303 0.83 ATM (0.58) TDP1ATMALDH1A1MAPTMAPK1
SCHEMBL1414035 0.83 ATM (0.58) TDP1ATMALDH1A1MAPTMAPK1
SCHEMBL1349019 0.82 TDP1 (0.53) TDP1ATMALDH1A1MAPTMAPK1
SCHEMBL7737640 0.82 TDP1 (0.53) TDP1ATMALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820724-B2 Method for preparing 2-ethyl-4-fluoro-1-nitrobenzene ACCELA CHEMBIO CO., LTD. (CN) 2023-11-21 US claimed
US-20220024850-A1 METHOD FOR PREPARING 2-ETHYL-4-FLUORO-1-NITROBENZENE ACCELA CHEMBIO CO., LTD. (CN) 2022-01-27 US claimed
CN-110746307-B Preparation method of 1-nitro-2-ethyl-4-fluorobenzene 韶远科技(上海)有限公司 2021-07-06 CN claimed
WO-2021082752-A1 PREPARATION METHOD FOR 1-NITRO-2-ETHYL-4-FLUOROBENZENE 韶远科技(上海)有限公司 2021-05-06 WO claimed
CN-110746307-A Preparation method of 1-nitro-2-ethyl-4-fluorobenzene 韶远科技(上海)有限公司 2020-02-04 CN claimed
US-20250144094-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF ERASCA, INC. 2025-05-08 US disclosed
CN-114040911-B As NAV1.8 2, 3-Dihydro-quinazoline Compounds as inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2024-10-22 CN disclosed
US-20240083896-A1 Nitrogen Containing 2,3-Dihydroquinazolinone Compounds as Nav1.8 Inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-03-14 US disclosed
US-11820724-B2 Method for preparing 2-ethyl-4-fluoro-1-nitrobenzene ACCELA CHEMBIO CO., LTD. (CN) 2023-11-21 US disclosed
US-11820724-B2 Method for preparing 2-ethyl-4-fluoro-1-nitrobenzene ACCELA CHEMBIO CO., LTD. (CN) 2023-11-21 US disclosed
US-11820724-B2 Method for preparing 2-ethyl-4-fluoro-1-nitrobenzene ACCELA CHEMBIO CO., LTD. (CN) 2023-11-21 US disclosed
WO-2023215494-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF ERASCA, INC. (US) 2023-11-09 WO disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-4801717-A PLANT GROWTH REGULATORS ROUSSEL UCLAF (FR) 1989-01-31 US disclosed
EP-0119892-B1 HYDROXYL AMINE DERIVATIVES, THEIR PREPARATION, THEIR USE AS GROWTH FACTORS FOR VEGETABLES AND COMPOSITIONS THEREOF ROUSSEL-UCLAF (FR) 1986-08-13 EP disclosed
EP-0119892-A1 Hydroxyl amine derivatives, their preparation, their use as growth factors for vegetables and compositions thereof ROUSSEL-UCLAF (FR) 1984-09-26 EP 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 (5 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-20250144094-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF ULK1, ULK2, ULK3 TDP1 500/4885ATM 598/4885ALDH1A1 3129/4885
US-20220024850-A1 METHOD FOR PREPARING 2-ETHYL-4-FLUORO-1-NITROBENZENE CYP2E1, NOS1, CBR1 TDP1 1032/4885ATM 3068/4885ALDH1A1 165/4885
US-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 TDP1 1064/4885ATM 724/4885ALDH1A1 3410/4885
US-20240083896-A1 Nitrogen Containing 2,3-Dihydroquinazolinone Compounds as Nav1.8 Inhibitors SCN8A, SCN1A, SCN2A TDP1 2847/4885ATM 3907/4885ALDH1A1 1362/4885
US-11820724-B2 Method for preparing 2-ethyl-4-fluoro-1-nitrobenzene CYP2E1, NOS1, CBR1 TDP1 1032/4885ATM 3068/4885ALDH1A1 165/4885

“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.