SCHEMBL22698

SCHEMBL22698

COc1cc(C(=O)Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
TDP1 Q9NUW8 2/20 0.50
TTR P02766 1/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 4/20 0.48
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SIRT6 Q8N6T7 1/20 0.47
RAF1 P04049 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
GFER P55789 1/20 0.47
PAX8 Q06710 1/20 0.47
KMT2A Q03164 2/20 0.46
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
SCHEMBL29682640 1.00 ALDH1A1 (0.50) ALDH1A1TDP1TTRLMNAMAPT
SCHEMBL3942259 0.94 TTR (0.57) ALDH1A1TTRLMNAMAPTTSHR
SCHEMBL2747530 0.87 ALDH1A1 (0.60) ALDH1A1TDP1TTRLMNAMAPT
SCHEMBL2946181 0.85 ALDH1A1 (0.60) ALDH1A1TDP1TTRLMNAMAPT
SCHEMBL29753668 0.85 TTR (0.64) ALDH1A1TTRLMNAMAPTTSHR
SCHEMBL223878 0.85 TTR (0.64) ALDH1A1TTRLMNAMAPTTSHR
SCHEMBL9064356 0.84 ALDH1A1 (0.45) ALDH1A1TTRLMNAMAPTTSHR
SCHEMBL29689258 0.84 PARP1 (0.55) ALDH1A1TDP1TTRLMNAMAPT
SCHEMBL310574 0.84 VCAM1 (0.58) ALDH1A1TDP1LMNAMAPTTSHR
SCHEMBL223645 0.84 PARP1 (0.55) ALDH1A1TDP1TTRLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696611-B2 Adamantane derivative compound AMOREPACIFIC CORPORATION (KR) 2020-06-30 US claimed
EP-0440329-A1 S-substituted carbonyl substituted betathioacrylamide biocides and fungicides ROHM AND HAAS COMPANY (US) 1991-08-07 EP claimed
CN-119504570-A Benzamide compound, pharmaceutical composition and application 徐州医科大学 2025-02-25 CN disclosed
CN-114945636-B Azo compound or salt thereof, polarizing film, polarizing plate, and display device 日本化药株式会社 2024-07-12 CN disclosed
CN-117247387-A Aromatic heterocyclic compound and preparation method thereof 上海翊石医药科技有限公司 2023-12-19 CN disclosed
US-20230391775-A1 SUBSTITUTED DIARYLAMINE COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF SUZHOU YABAO PHARMACEUTICAL R&D CO., LTD. (CN) 2023-12-07 US disclosed
EP-3187486-B1 NOVEL ADAMANTANE DERIVATIVE COMPOUND AMOREPACIFIC CORP (KR) 2023-10-18 EP disclosed
CN-116790000-A Preparation method of colorless polyimide film with low thermal expansion coefficient 黄山金石木塑料科技有限公司 2023-09-22 CN disclosed
EP-4238975-A1 SUBSTITUTED DIARYLAMINE COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF Suzhou Yabao Pharmaceutical R&D Co., Ltd. (CN) 2023-09-06 EP disclosed
CN-114426542-B Substituted diarylamine compounds, pharmaceutical compositions, preparation method and use thereof 苏州亚宝药物研发有限公司 2023-06-30 CN disclosed
CN-116261924-A Polarizing element, polarizing plate, and display device provided with same 日本化药株式会社 2023-06-13 CN disclosed
US-4215114-A Analgesic N-[2-(furyl-methylamino and 2-thienylmethylamino)cycloaliphatic]be THE UPJOHN COMPANY (US) 1980-07-29 US disclosed
US-4197308-A Analgesic N-(2-heterocyclic-amino cycloaliphatic) benzamides THE UPJOHN COMPANY (US) 1980-04-08 US disclosed
US-4192885-A Analgesic N-{2-[N'-(2-furylmethyl and 2-thienyl-methyl)-N'-alkylamino]cycloaliphatic}cyanobenzamides THE UPJOHN COMPANY (US) 1980-03-11 US disclosed
US-4179501-A Analgesic N-(2-aminocycloaliphatic)azidobenzamides THE UPJOHN COMPANY (US) 1979-12-18 US disclosed
US-4153717-A 260/332.2 R THE UPJOHN COMPANY (US) 1979-05-08 US disclosed
US-4152459-A Analgesic N-2-(aminocycloaliphatic)-hydroxy, alkoxy and (allylic)alkenyloxy-benzamides THE UPJOHN COMPANY (US) 1979-05-01 US disclosed
US-4148914-A Analgesic N-(2-aminocyclo aliphatic)cyanobenzamides THE UPJOHN COMPANY (US) 1979-04-10 US disclosed
US-4098904-A ANALGESIC N-(2-AMINOCYCLOALIPHATIC)BENZAMIDES THE UPJOHN COMPANY (US) 1978-07-04 US disclosed
US-4052444-A DIAZO COUPLERS FOR MONOAZO DYES HOECHST AKTIENGESELLSCHAFT (DT) 1977-10-04 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-10696611-B2 Adamantane derivative compound ADAM8, BACE1, CYP17A1 ALDH1A1 194/4885TDP1 1151/4885TTR 2911/4885
US-20230391775-A1 SUBSTITUTED DIARYLAMINE COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF LRRK2, COMT, PARK7 ALDH1A1 1791/4885TDP1 678/4885TTR 2977/4885

“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.