SCHEMBL81066

SCHEMBL81066

O=C(O)CCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.66
ALDH1A1 P00352 5/20 0.59
TRPV1 Q8NER1 1/20 0.58
TSHR P16473 2/20 0.57
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
AGTR1 P30556 1/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KEAP1 Q14145 1/20 0.53
TP53 P04637 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
HPGD P15428 1/20 0.52
MAPT P10636 1/20 0.52
LMNA P02545 2/20 0.52
PTPRB P23467 1/20 0.51
CDC25A P30304 1/20 0.51
CDC25B P30305 1/20 0.51

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
SCHEMBL8871859 1.00 FFAR1 (0.66) FFAR1ALDH1A1TRPV1TSHRMEN1
SCHEMBL27290755 0.98 FFAR1 (0.64) FFAR1ALDH1A1TRPV1TSHRMEN1
Bromide SCHEMBL27898131 0.98 FFAR1 (0.64) FFAR1ALDH1A1TRPV1TSHRMEN1
SCHEMBL1538733 0.90 KMT2A (0.61) FFAR1ALDH1A1TRPV1TSHRMEN1
SCHEMBL5738137 0.89 ALDH1A1 (0.58) FFAR1ALDH1A1TRPV1TSHRMEN1
SCHEMBL28094404 0.88 TRPV1 (0.59) FFAR1ALDH1A1TRPV1TSHRMEN1
SCHEMBL4608243 0.88 MAPT (0.58) FFAR1ALDH1A1TRPV1TSHRMEN1
SCHEMBL5354183 0.88 MAPT (0.58) FFAR1ALDH1A1TRPV1TSHRMEN1
SCHEMBL27472434 0.87 TRPV1 (0.58) FFAR1ALDH1A1TRPV1TSHRMEN1
SCHEMBL7733006 0.85 TRPV1 (0.56) FFAR1ALDH1A1TRPV1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119569765-A Preparation method and application of active oxygen response type artificial ion channel 厦门大学 2025-03-07 CN claimed
CN-118974013-A Pyrrolidine compounds 伊莱利利公司 2024-11-15 CN claimed
US-20050154011-A1 Tetrahydroisoquinolnyl sulfamic acids THE PROCTER & GAMBLE COMPANY 2005-07-14 US claimed
CN-119569765-A Preparation method and application of active oxygen response type artificial ion channel 厦门大学 2025-03-07 CN disclosed
US-20240398776-A1 INHIBITORS OF TGF-BETA R1 (ALK5) USEFUL TO TREAT CELL PROLIFERATION DISORDERS NEXYS THERAPEUTICS, INC. (US) 2024-12-05 US disclosed
CN-118974013-A Pyrrolidine compounds 伊莱利利公司 2024-11-15 CN disclosed
US-12102626-B2 (Pyridin-2-yl)amine derivatives as TGF-BETA R1 (ALK5) inhibitors for the treatment of cancer NEXYS THERAPEUTICS, INC. (US) 2024-10-01 US disclosed
WO-2024072178-A1 COMPOUND FOR TARGETED PROTEIN DEGRADATION, AND USE THEREOF (주)사이러스테라퓨틱스 2024-04-04 WO disclosed
EP-3902796-B1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER NEXYS THERAPEUTICS INC (US) 2024-02-07 EP disclosed
CN-117024371-A Compound with function of reversing PD-1 drug resistance and application thereof 中国人民解放军海军军医大学 2023-11-10 CN disclosed
US-11738000-B2 Hydroquinone compounds, preparation methods therefor, and use in anti-tumor or immunomodulation therapy BIOMEDICAL ANALYSIS CENTER, ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2023-08-29 US disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 US disclosed
EP-1189612-A1 VLA-4 INHIBITOR COMPOUNDS Daiichi Pharmaceutical Co., Ltd. (JP) 2002-03-27 EP disclosed
EP-1185271-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2002-03-13 EP disclosed
CN-1340046-A Beta-alanine derivatives MERCK PATENT GMBH (DE) 2002-03-13 CN disclosed
EP-1153014-A2 BETA-ALANINE DERIVATIVES MERCK PATENT GmbH (DE) 2001-11-14 EP disclosed
WO-2001000206-A1 VLA-4 INHIBITOR COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-04 WO disclosed
WO-2000076515-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO disclosed
WO-2000048996-A2 β-ALANINE DERIVATIVES MERCK PATENT GMBH (DE) 2000-08-24 WO disclosed
US-5610144-A CHOLECYSTOKININ OR GASTRIN ANTAGONISTS; NERVOUS SYSTEM AND GASTROINTESTINAL DISORDERS RHONE-POULENC RORER S.A. (FR) 1997-03-11 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 (5 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-12102626-B2 (Pyridin-2-yl)amine derivatives as TGF-BETA R1 (ALK5) inhibitors for the treatment of cancer TGFBR1, TGFBR2, ACVR1 FFAR1 546/4885ALDH1A1 419/4885TRPV1 3888/4885
US-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 FFAR1 345/4885ALDH1A1 146/4885TRPV1 302/4885
US-20050154011-A1 Tetrahydroisoquinolnyl sulfamic acids PTPRS, PTPRJ, PTPRM FFAR1 839/4885ALDH1A1 999/4885TRPV1 3824/4885
US-20240398776-A1 INHIBITORS OF TGF-BETA R1 (ALK5) USEFUL TO TREAT CELL PROLIFERATION DISORDERS ACVR1, TGFBR1, ACVRL1 FFAR1 509/4885ALDH1A1 455/4885TRPV1 4402/4885
US-11738000-B2 Hydroquinone compounds, preparation methods therefor, and use in anti-tumor or immunomodulation therapy WEE2, WEE1, NQO1 FFAR1 1080/4885ALDH1A1 340/4885TRPV1 1977/4885

“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.