Sugi Predict

Sugi Predict / Compounds / SCHEMBL6376231

SCHEMBL6376231

SCHEMBL6376231

COc1cc(OC)c([N+](=O)[O-])cc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.58
▸ TDP1 Q9NUW8 3/20 0.56
▸ ALDH1A1 P00352 4/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ PRKDC P78527 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ GAA P10253 2/20 0.47
▸ LMNA P02545 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ PKM P14618 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ G6PD P11413 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RXFP1 Q9HBX9 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
SCHEMBL4799531 0.92 HTT (0.58) HTTTDP1ALDH1A1KDM4EMAPT
SCHEMBL6815710 0.92 HTT (0.58) HTTTDP1ALDH1A1KDM4EMAPT
SCHEMBL11555366 0.90 HTT (0.55) HTTTDP1ALDH1A1KDM4EMAPT
SCHEMBL10020888 0.90 HTT (0.59) HTTTDP1ALDH1A1KDM4EMAPT
SCHEMBL8009996 0.89 HTT (0.58) HTTTDP1ALDH1A1KDM4EMAPT
SCHEMBL9073829 0.87 HTT (0.56) HTTTDP1ALDH1A1KDM4EMAPT
SCHEMBL6375580 0.86 HTT (0.55) HTTTDP1ALDH1A1KDM4EMAPT
SCHEMBL6370055 0.86 ALDH1A1 (0.57) HTTTDP1ALDH1A1KDM4EMAPT
SCHEMBL3647381 0.85 HTT (0.50) HTTTDP1ALDH1A1KDM4EMAPT
SCHEMBL6677617 0.85 HTT (0.54) HTTTDP1ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119894871-A Pyrimidine compounds as kinase inhibitors having biological activity against EGFR mutants 南京爱德程医药科技有限公司 2025-04-25 — — CN disclosed
CN-118725206-A Concrete water-retaining agent containing cyclic aromatic amide and preparation method and application thereof 安徽海螺材料科技股份有限公司 2024-10-01 — — CN disclosed
WO-2024064091-A1 NOVEL PYRIMIDINE COMPOUND AS KINASE INHIBITORS WITH BIOLOGICAL ACTIVITIES ON EGFR MUTANTS Advenchen Pharmaceuticals, LLC (US) 2024-03-28 — — WO disclosed
CN-114394974-B Polysubstituted triaryl macrocyclic compounds and uses thereof 中国药科大学 2022-12-06 — — CN disclosed
CN-114394974-A Polysubstituted triaryl macrocyclic compounds and uses thereof 中国药科大学 2022-04-26 — — CN disclosed
EP-2844642-B1 COMPOUNDS FOR INHIBITING CELL PROLIFERATION IN EGFR-DRIVEN CANCERS ARIAD PHARMA INC (US) 2019-11-13 — — EP disclosed
CN-109879825-A A kind of bi-component supermolecular gel factor compound and its application 重庆工商大学 2019-06-14 — — CN disclosed
CN-109825703-A Application of the oligomerization virtue amide compound extractant containing three central hydrogen bonds in separation Ln/An 重庆工商大学 2019-05-31 — — CN disclosed
US-9834571-B2 Compounds for inhibiting cell proliferation in EGFR-driven cancers ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 — — US disclosed
US-9834571-B2 Compounds for inhibiting cell proliferation in EGFR-driven cancers ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 — — US disclosed
EP-2704572-A1 COMPOUNDS FOR INHIBITING CELL PROLIFERATION IN EGFR-DRIVEN CANCERS ARIAD Pharmaceuticals, Inc. (US) 2014-03-12 — — EP disclosed
CN-103501612-A Compounds for inhibiting cell proliferation in EGFR-driven cancers ARIAD PHARMA INC 2014-01-08 — — CN disclosed
WO-2013169401-A1 COMPOUNDS FOR INHIBITING CELL PROLIFERATION IN EGFR-DRIVEN CANCERS ARIAD PHARMACEUTICALS, INC. (US) 2013-11-14 — — WO disclosed
US-20120316135-A1 Compounds for Inhibiting Cell Proliferation in EGFR-Driven Cancers ARIAD PHARMACEUTICALS, INC. (US) 2012-12-13 — — US disclosed
WO-2012151561-A1 COMPOUNDS FOR INHIBITING CELL PROLIFERATION IN EGFR-DRIVEN CANCERS ARIAD PHARMACEUTICALS, INC. (US) 2012-11-08 — — WO disclosed
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2005-11-10 — — US disclosed
US-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-16 — — US disclosed
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-09 — — US disclosed
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PHARMACIA & UPJOHN COMPANY 2003-12-25 — — US disclosed
WO-2003093250-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR PHARMACIA & UPJOHN COMPANY (US) 2003-11-13 — — 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 (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-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 HTT 1718/4885TDP1 1321/4885ALDH1A1 2007/4885
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 HTT 1718/4885TDP1 1321/4885ALDH1A1 2007/4885
US-20120316135-A1 Compounds for Inhibiting Cell Proliferation in EGFR-Driven Cancers EGFR, MKI67, ERBB2 HTT 3952/4885TDP1 4383/4885ALDH1A1 1376/4885
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 HTT 1718/4885TDP1 1321/4885ALDH1A1 2007/4885
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA7, CHRNA1, CHRNA5 HTT 1811/4885TDP1 2203/4885ALDH1A1 2742/4885

“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.