SCHEMBL704754

SCHEMBL704754

COc1cc(CO)ccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.64
ALDH1A1 P00352 9/20 0.52
MAPT P10636 3/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 3/20 0.50
SIRT6 Q8N6T7 1/20 0.48
HTT P42858 3/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CHEK1 O14757 1/20 0.44

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
SCHEMBL29750606 1.00 TTR (0.64) TTRALDH1A1MAPTMAPK1TDP1
SCHEMBL8867665 0.87 SMN1; SMN2 (0.52) TTRALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL30875697 0.87 SMN1; SMN2 (0.52) TTRALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL1667910 0.87 TTR (0.68) TTRALDH1A1MAPTMAPK1TDP1
SCHEMBL1531355 0.85 ALDH1A1 (0.53) TTRALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL18138414 0.85 ALDH1A1 (0.53) TTRALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL16955161 0.84 MAPT (0.55) TTRALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL520466 0.83 ALDH1A1 (0.51) TTRALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL14136128 0.83 ALDH1A1 (0.51) TTRALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL520427 0.83 ALDH1A1 (0.51) TTRALDH1A1MAPTTDP1SMN1; 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 294 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6509393-B2 Phase change inks XEROX CORPORATION 2003-01-21 US claimed
US-20020137816-A1 Phase change inks XEROX CORPORATION 2002-09-26 US claimed
EP-4727652-A1 (HETERO)ARYL-SULFONAMIDE COMPOUNDS AS MODULATORS OF GPR35 ThirtyFiveBio Limited (GB) 2026-04-22 EP disclosed
EP-4676926-A1 BICYCLIC HETEROARYL COMPOUNDS FOR USE AS GPR35 MODULATORS ThirtyFiveBio Limited (GB) 2026-01-14 EP disclosed
EP-4646402-A1 GPR35 MODULATORS ThirtyFiveBio Limited (GB) 2025-11-12 EP disclosed
US-12459883-B2 Substituted hydroxystilbene compounds and derivatives synthesis and uses thereof Kynan Duke IP, LLC (US) 2025-11-04 US disclosed
WO-2024256827-A1 (HETERO)ARYL-SULFONAMIDE COMPOUNDS AS MODULATORS OF GPR35 ThirtyFiveBio Limited (GB) 2024-12-19 WO disclosed
WO-2024184650-A1 BICYCLIC HETEROARYL COMPOUNDS FOR USE AS GPR35 MODULATORS. ThirtyFiveBio Limited (GB) 2024-09-12 WO disclosed
WO-2024147009-A1 GPR35 MODULATORS ThirtyFiveBio Limited (GB) 2024-07-11 WO 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-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
WO-1999022726-A1 N,N'-BIS(SULFONYL)HYDRAZINES USEFUL AS ANTINEOPLASTIC AGENTS YALE UNIVERSITY (US) 1999-05-14 WO disclosed
EP-0894084-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-02-03 EP disclosed
US-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US disclosed
EP-0861243-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-02 EP disclosed
EP-0807105-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed
WO-1997036860-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed
EP-0774462-A1 HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
WO-1997011069-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-27 WO disclosed
WO-1996013485-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-09 WO 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-20230391775-A1 SUBSTITUTED DIARYLAMINE COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF LRRK2, COMT, PARK7 TTR 2977/4885ALDH1A1 1791/4885MAPT 10/4885
US-12459883-B2 Substituted hydroxystilbene compounds and derivatives synthesis and uses thereof CYP8B1, HSD11B1, HSD11B2 TTR 2074/4885ALDH1A1 288/4885MAPT 3957/4885

“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.