SCHEMBL2350187

SCHEMBL2350187

O=[N+]([O-])c1[c]c(F)ccc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 5/20 0.37
ALDH1A1 P00352 7/20 0.35
GPR35 Q9HC97 2/20 0.35
ATM Q13315 1/20 0.32
ACHE P22303 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX15 P16050 1/20 0.32
FBP1 P09467 1/20 0.32
HSP90AA1 P07900 1/20 0.31
S100A4 P26447 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL58486 0.84 TSHR (0.46) TSHRLMNATDP1ALDH1A1GPR35
SCHEMBL3317507 0.74 ALDH1A1 (0.41) TSHRLMNATDP1ALDH1A1GPR35
SCHEMBL41321 0.74 GPR35 (0.45) TSHRLMNATDP1ALDH1A1GPR35
SCHEMBL6310965 0.74 TSHR (0.38) TSHRLMNATDP1ALDH1A1GPR35
SCHEMBL261451 0.74 TDP1 (0.45) TSHRLMNATDP1ALDH1A1GPR35
SCHEMBL973620 0.74 LMNA (0.34) TSHRLMNATDP1ALDH1A1GPR35
SCHEMBL27637018 0.74 HSPB1 (0.36) TSHRLMNATDP1ALDH1A1ATM
SCHEMBL147156 0.70 HIF1A (0.39) TSHRLMNATDP1ALDH1A1ATM
SCHEMBL146142 0.70 ATM (0.36) TDP1ALDH1A1ATMHIF1A
SCHEMBL3297299 0.69 ALDH1A1 (0.41) TSHRLMNATDP1ALDH1A1SMN1; SMN2

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
CN-112694473-A 7, 9-disubstituted berberine derivative and preparation method and application thereof 南京林业大学 2021-04-23 CN claimed
US-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors AXYS PHARMACEUTICALS, INC. 2004-01-22 US claimed
EP-1212302-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-06-12 EP claimed
WO-2001019796-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed
EP-4232444-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2023-08-30 EP disclosed
US-11739070-B2 C5A receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2023-08-29 US disclosed
CN-115996908-A Antagonists of GPR39 proteins 俄勒冈健康科学大学 2023-04-21 CN disclosed
CN-112694473-B 7, 9-disubstituted berberine structural analogue and preparation method and application thereof 南京林业大学 2022-09-20 CN disclosed
WO-2022083569-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2022-04-28 WO disclosed
CN-114249712-A Pyrimidinyl derivatives, method for the production thereof and use thereof 广州费米子科技有限责任公司 2022-03-29 CN disclosed
CN-112694473-A 7, 9-disubstituted berberine derivative and preparation method and application thereof 南京林业大学 2021-04-23 CN disclosed
EP-3740476-A1 C5A RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-11-25 EP disclosed
EP-0602521-A1 Imidazopyridines MERCK PATENT GmbH (DE) 1994-06-22 EP disclosed
US-5260444-A Cardiovascular, hypotensive WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-11-09 US disclosed
US-5208245-A Hypotensive agents WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-05-04 US disclosed
EP-0320733-B1 2-TERT.-BUTYL-5-ISOXAZOLYL METHYLTHIO-3(2H)-PYRIDAZIN-3-ONE DERIVATIVES BASF Aktiengesellschaft (DE) 1993-03-03 EP disclosed
EP-0460418-A2 Novel Dihydropyridine derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-12-11 EP disclosed
US-4929617-A INSECTICIDES, MITICIDES BASF AKTIENGESELLSCHAFT (DE) 1990-05-29 US disclosed
EP-0351589-A2 3(2H)-Pyridazinone derivatives for controlling snails BASF Aktiengesellschaft (DE) 1990-01-24 EP disclosed
EP-0320733-A2 2-tert.-butyl-5-isoxazolyl methylthio-3(2H)-pyridazin-3-one derivatives BASF Aktiengesellschaft (DE) 1989-06-21 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-11739070-B2 C5A receptor modulators C5AR1, C3AR1, C5AR2 TSHR 202/4885LMNA 3728/4885TDP1 4624/4885
US-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors CTSS, CTSB, CTSE TSHR 3722/4885LMNA 1476/4885TDP1 3984/4885

“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.