SCHEMBL1014802

SCHEMBL1014802

O=C(O)c1cc([N+](=O)[O-])c(F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
DTYMK P23919 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 1/20 0.42
ESPL1 Q14674 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
ALDH1A1 P00352 2/20 0.41
VCAM1 P19320 2/20 0.41
CYP3A4 P08684 1/20 0.41
HIF1A Q16665 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TTR P02766 1/20 0.40
PPOX P50336 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40

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 SCHEMBL3983490 0.98 TSHR (0.42) TSHRNPC1RAB9ADTYMKTDP1
SCHEMBL7744994 0.93 TSHR (0.44) TSHRNPC1RAB9ADTYMKTDP1
Benzoic Acid SCHEMBL25317758 0.90 VCAM1 (0.49) TSHRNPC1RAB9ATDP1AKR1C2
SCHEMBL241760 0.86 VCAM1 (0.45) TSHRNPC1RAB9ADTYMKTDP1
SCHEMBL973982 0.86 NPC1 (0.43) TSHRNPC1RAB9ATDP1ATM
SCHEMBL1790306 0.85 TSHR (0.49) TSHRDTYMKTDP1ALDH1A1VCAM1
SCHEMBL9419239 0.85 NPC1 (0.42) TSHRNPC1RAB9ATDP1ATM
SCHEMBL9878340 0.85 KMT2A (0.53) NPC1RAB9ATDP1ATMALDH1A1
SCHEMBL6586312 0.85 CA12 (0.46) NPC1RAB9ATDP1ATMESPL1
SCHEMBL31468684 0.85 CA12 (0.46) NPC1RAB9ATDP1ATMESPL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260085051-A1 PREPARATION OF 2-CHLORO-4-FLUORO-5-NITROBENZOIC ACID ADAMA AGAN LTD. (IL) 2026-03-26 US claimed
EP-4313954-B1 PREPARATION OF 2-CHLORO-4-FLUORO-5-NITROBENZOIC ACID ADAMA AGAN LTD (IL) 2025-10-15 EP claimed
CN-119790033-A Preparation of 2-chloro-4-fluoro-5-nitrobenzoic acid 安道麦阿甘有限公司 2025-04-08 CN claimed
CN-119306610-A Synthesis method of 2-chloro-4-fluoro-5-nitrobenzoic acid 永农生物科学有限公司 2025-01-14 CN claimed
CN-114105772-B Synthesis method of 2-chloro-4-fluoro-5-nitrobenzoic acid 阜新睿光氟化学有限公司 2024-12-03 CN claimed
CN-118955293-A Preparation method of 2-chloro-4-fluoro-5-nitrobenzoic acid 北京颖泰嘉和生物科技股份有限公司 2024-11-15 CN claimed
US-20240217915-A1 PREPARATION OF 2-CHLORO-4-FLUORO-5-NITROBENZOIC ACID ADAMA AGAN LTD. (IL) 2024-07-04 US claimed
WO-2024047648-A1 PREPARATION OF 2-CHLORO-4-FLUORO-5-NITROBENZOIC ACID ADAMA AGAN LTD. (IL) 2024-03-07 WO claimed
EP-4313954-A1 PREPARATION OF 2-CHLORO-4-FLUORO-5-NITROBENZOIC ACID Adama Agan Ltd. (IL) 2024-02-07 EP claimed
CN-117062805-A Preparation of 2-chloro-4-fluoro-5-nitrobenzoic acid 安道麦阿甘有限公司 2023-11-14 CN claimed
CN-112939922-B Synthesis method of 1-cyano-6-methylsulfonyl-7-nitro-9H-xanthene-9-ketone 龙曦宁(上海)医药科技有限公司 2023-02-24 CN claimed
CN-114105772-A Synthetic method of 2-chloro-4-fluoro-5-nitrobenzoic acid 阜新睿光氟化学有限公司 2022-03-01 CN claimed
CN-112939922-A Synthesis method of 1-cyano-6-methylsulfonyl-7-nitro-9H-xanthene-9-ketone 龙曦宁(上海)医药科技有限公司 2021-06-11 CN claimed
CN-101142168-B Method for producing benzoic acid derivatives via novel synthesis intermediates BASF AG 2012-03-28 CN claimed
EP-1853548-B1 PROCESS FOR THE PREPARATION OF BENZOIC ACID DERIVATIVES VIA A NEW INTERMEDIATE OF SYNTHESIS MITENI SPA (IT) 2009-05-13 EP claimed
CN-101142168-A Method for producing benzoic acid derivatives via novel synthesis intermediates MITENI SPA (DE) 2008-03-12 CN claimed
EP-1853548-A1 PROCESS FOR THE PREPARATION OF BENZOIC ACID DERIVATIVES VIA A NEW INTERMEDIATE OF SYNTHESIS MITENI S.p.A. (IT) 2007-11-14 EP claimed
WO-2006090210-A1 PROCESS FOR THE PREPARATION OF BENZOIC ACID DERIVATIVES VIA A NEW INTERMEDIATE OF SYNTHESIS MITENI S.P.A. (IT) 2006-08-31 WO claimed
US-20260085051-A1 PREPARATION OF 2-CHLORO-4-FLUORO-5-NITROBENZOIC ACID ADAMA AGAN LTD. (IL) 2026-03-26 US disclosed
EP-0061741-A2 Tetrahydrophthalimides, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-10-06 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 (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-20240217915-A1 PREPARATION OF 2-CHLORO-4-FLUORO-5-NITROBENZOIC ACID CYP4F12, COXFA4, NDUFS5 TSHR 2171/4885NPC1 3580/4885RAB9A 3796/4885
US-20260085051-A1 PREPARATION OF 2-CHLORO-4-FLUORO-5-NITROBENZOIC ACID FOSB, DDT, NPM1 TSHR 2588/4885NPC1 2561/4885RAB9A 2995/4885

“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.