SCHEMBL102797

SCHEMBL102797

O=C(O)c1ccc([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
TDP1 Q9NUW8 2/20 0.60
CYP3A4 P08684 1/20 0.60
ALOX15 P16050 1/20 0.60
MPO P05164 1/20 0.54
MAPT P10636 3/20 0.51
GRIK1 P39086 1/20 0.51
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
RORC P51449 1/20 0.48
PDE7A Q13946 1/20 0.48
TP53 P04637 1/20 0.48
CTSV O60911 1/20 0.48
CTSL P07711 1/20 0.48
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
MEN1 O00255 1/20 0.46

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 SCHEMBL3141636 0.98 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4ALOX15MPO
SCHEMBL30362211 0.88 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4ALOX15MPO
SCHEMBL4433793 0.88 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4ALOX15MPO
SCHEMBL5182501 0.87 KMT2A (0.59) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL20568110 0.87 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4ALOX15MPO
SCHEMBL3141628 0.87 RORC (0.49) ALDH1A1TDP1CYP3A4ALOX15MPO
SCHEMBL29928895 0.87 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4ALOX15MPO
SCHEMBL28275431 0.85 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4ALOX15MPO
SCHEMBL16045437 0.83 L3MBTL1 (0.60) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL2152528 0.83 ALDH1A1 (0.48) ALDH1A1TDP1MPOMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119757578-A Detection method and preparation method of nitenpyram impurity 安徽贝克制药股份有限公司 2025-04-04 CN claimed
CN-118281338-A F & NO-containing material2Methyl benzoate electrolyte, lithium ion battery and preparation method thereof 电子科技大学 2024-07-02 CN claimed
CN-113880762-B Triacylamine derivatives containing 1,8-naphthalimide as well as preparation method and application thereof 河北农业大学 2023-02-21 CN claimed
CN-113880762-A 1, 8-naphthalimide-containing triacylamine derivatives, and preparation method and application thereof 河北农业大学 2022-01-04 CN claimed
CN-111725408-A Quantum dot light-emitting diode, preparation method thereof and composite material TCL集团股份有限公司 2020-09-29 CN claimed
EP-4430042-B1 6-HETERO ARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS INC (US) 2026-02-18 EP disclosed
US-12440494-B2 Compounds useful for inhibiting RAF dimers ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2025-10-14 US disclosed
US-12410281-B2 Diamine compound, polyimide precursor and polyimide film using the same, and use thereof SK INNOVATION CO., LTD. (KR) 2025-09-09 US disclosed
US-20250223299-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2025-07-10 US disclosed
US-12297207-B2 Maytansinoid derivatives, conjugates thereof, and methods of use REGENERON PHARMACEUTICALS, INC. (US) 2025-05-13 US disclosed
US-12275717-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors AJAX THERAPEUTICS, INC. (US) 2025-04-15 US disclosed
CN-119757578-A Detection method and preparation method of nitenpyram impurity 安徽贝克制药股份有限公司 2025-04-04 CN disclosed
US-20020151595-A1 Carboxylic acid amides having antithrombotic activity BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-17 US disclosed
CN-1359403-A Diaminobenzene derivative, polyimide obtained therefrom, and liquid crystal alignment film NISSAN CHEMICAL IND LTD (JP) 2002-07-17 CN disclosed
EP-1209185-A1 DIAMINOBENZENE DERIVATIVE, POLYIMIDE OBTAINED THEREFROM, AND LIQUID-CRYSTAL ALIGNMENT FILM Nissan Chemical Industries, Ltd. (JP) 2002-05-29 EP disclosed
US-5187167-A Antitumor agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-16 US disclosed
US-5081124-A Amino acid and polyamino acid derivatives, inhibitors of thymidylate synthetase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-14 US disclosed
EP-0239362-B1 ANTI-TUMOR AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-12-04 EP disclosed
US-4992550-A Thymidylate synthetase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-02-12 US disclosed
EP-0239362-A2 Anti-tumor agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-09-30 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 (6 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-12275717-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors JAK2, JAK3, STAT5B ALDH1A1 3735/4885TDP1 3813/4885CYP3A4 2677/4885
US-20250223299-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE SLC10A1, HNMT, OGFR ALDH1A1 317/4885TDP1 1130/4885CYP3A4 1529/4885
US-12297207-B2 Maytansinoid derivatives, conjugates thereof, and methods of use SLC10A1, HNMT, OGFR ALDH1A1 317/4885TDP1 1130/4885CYP3A4 1529/4885
US-12410281-B2 Diamine compound, polyimide precursor and polyimide film using the same, and use thereof PUF60, PARG, DDT ALDH1A1 1920/4885TDP1 817/4885CYP3A4 4754/4885
US-12440494-B2 Compounds useful for inhibiting RAF dimers BRAF, RAF1, NRAS ALDH1A1 880/4885TDP1 1623/4885CYP3A4 3301/4885
US-20020151595-A1 Carboxylic acid amides having antithrombotic activity SERPINC1, TFPI, F2 ALDH1A1 112/4885TDP1 1476/4885CYP3A4 987/4885

“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.