SCHEMBL77039

SCHEMBL77039

Nc1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.64
TSHR P16473 2/20 0.64
ATM Q13315 1/20 0.64
PDE7A Q13946 1/20 0.54
MAPT P10636 7/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 1/20 0.49
MEN1 O00255 2/20 0.48
POLB P06746 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
RECQL P46063 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46
HSPB1 P04792 2/20 0.44
MCL1 Q07820 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HIF1A Q16665 1/20 0.42

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
SCHEMBL13735059 0.85 MAPT (0.56) TDP1TSHRATMPDE7AMAPT
SCHEMBL537892 0.83 TDP1 (0.64) TDP1TSHRATMPDE7AMAPT
Fluoride SCHEMBL27394412 0.82 TDP1 (0.62) TDP1TSHRATMPDE7AMAPT
SCHEMBL1373865 0.81 HSPB1 (0.57) TDP1TSHRATMPDE7AMAPT
SCHEMBL5858703 0.81 PDE7A (0.56) TDP1TSHRATMPDE7AMAPT
SCHEMBL216553 0.80 TDP1 (0.72) TDP1TSHRATMPDE7AALDH1A1
SCHEMBL29745239 0.80 TDP1 (0.72) TDP1TSHRATMPDE7AALDH1A1
SCHEMBL7744242 0.79 MAPK1 (0.75) TDP1TSHRATMMAPTALDH1A1
SCHEMBL3973537 0.78 MAPT (0.69) TDP1TSHRMAPTALDH1A1LMNA
SCHEMBL57112 0.78 TDP1 (1.00) TDP1TSHRATMPDE7AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118702085-A Method for regulating specific surface area of carbon material 三明学院 2024-09-27 CN claimed
CN-107935858-B Preparation method of 5-fluoro-2-nitrophenol 利尔化学股份有限公司 2020-09-08 CN claimed
CN-111362867-A Mobile terminal, shell assembly, electrochromic material and preparation method thereof 宁波祢若电子科技有限公司 2020-07-03 CN claimed
CN-104407066-B A kind of retigabine has the analysis method of related substance 安徽万邦医药科技有限公司 2016-09-21 CN claimed
CN-104407066-A Analysis method of retigabine related substances ANHUI WANBANG MEDICAL TECHNOLOGY CO LTD 2015-03-11 CN claimed
US-8222413-B2 Methods for synthesizing heterocyclic compounds NOVARTIS AG (US) 2012-07-17 US claimed
EP-1888556-A1 METHODS FOR SYNTHESIZING HETEROCYCLIC COMPOUNDS Novartis Pharma AG (CH) 2008-02-20 EP claimed
WO-2006125130-A1 METHODS FOR SYNTHESIZING HETEROCYCLIC COMPOUNDS NOVARTIS AG (CH) 2006-11-23 WO claimed
EP-3364967-B1 FERROPORTIN INHIBITORS VIFOR INT AG (CH) 2026-05-20 EP disclosed
EP-4741395-A1 NOVEL COMPOUND SENSITIVE TO NITROGEN MONOXIDE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Omniamed Co. Ltd (KR) 2026-05-13 EP disclosed
US-20260124205-A1 MODULATORS OF BETA CATENIN AND USES THEREOF DEWPOINT THERAPEUTICS INC (US) 2026-05-07 US disclosed
EP-4736860-A2 POLYCYCLIC COMPOUNDS FOR INHIBITING RNA HELICASE DHX33 AND USE THEREOF Shenzhen Keye Life Technologies, Co., Ltd. (CN) 2026-05-06 EP disclosed
WO-2026090104-A1 MODULATORS OF BETA CATENIN AND USES THEREOF DEWPOINT THERAPEUTICS, INC. (US) 2026-04-30 WO disclosed
US-12589156-B2 Benzimidazole and benzimidazolone based protac compounds for the targeted degradation of leucine rich repeat kinase 2 (LRRK2) ARVINAS OPERATIONS, INC. (US) 2026-03-31 US disclosed
US-4264913-A Electric discharge recording method and material with non-recording layer SEKISUI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1981-04-28 US disclosed
US-4185018-A Process for producing benzofurazan-1-oxides CIBA-GEIGY CORPORATION (US) 1980-01-22 US disclosed
US-4163075-A RESIN, METAL POWDER SEKISUI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1979-07-31 US disclosed
EP-0000121-A1 6-(1-Piperazinyl)-quinoxaline, process for its preparation and pharmaceutical compositions thereof MERCK & CO. INC. (US) 1979-01-10 EP disclosed
US-4091101-A ANORECTIC AGENTS MERCK & CO., INC. (US) 1978-05-23 US disclosed
US-3957860-A SULFAMIC ACID CIBA-GEIGY AG (CH) 1976-05-18 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-20260124205-A1 MODULATORS OF BETA CATENIN AND USES THEREOF CTNNB1, CTNNA1, CTNND1 TDP1 3162/4885TSHR 2957/4885ATM 4266/4885
US-12589156-B2 Benzimidazole and benzimidazolone based protac compounds for the targeted degradation of leucine rich repeat kinase 2 (LRRK2) LRRK2, SNCA, PARK7 TDP1 3310/4885TSHR 3129/4885ATM 246/4885

“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.