Sugi Predict

Sugi Predict / Compounds / SCHEMBL1896801

SCHEMBL1896801

SCHEMBL1896801

Cc1c(O)ccc([N+](=O)[O-])c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.56
▸ TSHR P16473 5/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ CTSB P07858 3/20 0.52
▸ TP53 P04637 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ CTSH P09668 1/20 0.50
▸ GPR35 Q9HC97 5/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPT P10636 2/20 0.44
▸ CASP6 P55212 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ ALDH5A1 P51649 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
Phenol SCHEMBL28167180 0.89 CTSB (0.51) TDP1TSHRSMN1; SMN2CTSBTP53
SCHEMBL9719281 0.86 TDP1 (0.71) TDP1TSHRSMN1; SMN2CYP3A4GPR35
SCHEMBL30503599 0.86 TDP1 (0.71) TDP1TSHRSMN1; SMN2CYP3A4GPR35
SCHEMBL2651124 0.85 TDP1 (0.54) TDP1TSHRSMN1; SMN2CTSBTP53
SCHEMBL3280548 0.85 GPR35 (0.54) TDP1TSHRSMN1; SMN2CTSBTP53
SCHEMBL258792 0.83 GPR35 (0.55) TDP1TSHRSMN1; SMN2CTSBTP53
SCHEMBL21811800 0.83 TSHR (0.53) TDP1TSHRSMN1; SMN2CTSBTP53
Hydrochloric Acid SCHEMBL28240513 0.83 GPR35 (0.52) TDP1TSHRSMN1; SMN2CTSBTP53
SCHEMBL28755195 0.83 TDP1 (0.52) TDP1TSHRSMN1; SMN2CTSBTP53
SCHEMBL9750713 0.83 GPR35 (0.55) TDP1TSHRSMN1; SMN2CTSBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220372008-A1 LUCIFERIN DERIVATIVES AND A METHOD FOR SYNTHESIS THEREOF VIDYASIRIMEDHI INSTITUTE OF SCIENCE AND TECHNOLOGY (TH) 2022-11-24 — — US claimed
CN-107880634-A A kind of environmental protection paint remover 南京化学工业园环保产业协同创新有限公司 2018-04-06 — — CN claimed
CN-101150196-A Electrolyte film comprising nano compound ion complex, its manufacture method and its fuel cell comprising same SAMSUNG SDI CO LTD (KR) 2008-03-26 — — CN claimed
WO-2026087442-A1 AMINO-IMIDAZOLE ANTIBACTERIAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2026-04-30 — — WO disclosed
CN-109422755-B Nitrogen-containing heterocyclic compound, preparation method, intermediate, composition and application 上海医药集团股份有限公司 2023-07-04 — — CN disclosed
US-11578074-B2 Nitrogenous heterocyclic compound, preparation method, intermediate, composition, and application Shanghai Pharmaceuticals Holding Cd., Ltd. (CN) 2023-02-14 — — US disclosed
US-20220372008-A1 LUCIFERIN DERIVATIVES AND A METHOD FOR SYNTHESIS THEREOF VIDYASIRIMEDHI INSTITUTE OF SCIENCE AND TECHNOLOGY (TH) 2022-11-24 — — US disclosed
CN-107141293-B Nitrogen-containing heterocyclic compound, preparation method, intermediate, composition and application 上海医药集团股份有限公司 2022-09-23 — — CN disclosed
CN-115057861-A Nitrogen-containing heterocyclic compound, preparation method, intermediate, composition and application 上海医药集团股份有限公司 2022-09-16 — — CN disclosed
EP-4034654-A2 LUCIFERIN DERIVATIVES AND A METHOD FOR SYNTHESIS THEREOF Vidyasirimedhi Institute of Science and Technology (TH) 2022-08-03 — — EP disclosed
CN-114729352-A Fluorescein derivative and synthetic method thereof 维迪亚西里梅迪科学技术研究所 2022-07-08 — — CN disclosed
WO-1998022197-A9 CYCLODEXTRIN POLYMER SEPARATION MATERIALS — 1998-09-11 — — WO disclosed
WO-1998022197-A1 CYCLODEXTRIN POLYMER SEPARATION MATERIALS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-05-28 — — WO disclosed
CN-1047497-A ANTI INFLAMMATORY AMINOPHENOL DERIVATIVES FISONS PLC (GB) 1990-12-05 — — CN disclosed
EP-0304248-A2 Carbon dioxide sensor Pfizer Hospital Products Group, Inc. (US) 1989-02-22 — — EP disclosed
CN-86102098-A The preparation technology of 1-(4-Phenoxyphenyl)-3-benzoyl urea compound — 1986-10-15 — — CN disclosed
CN-86100630-A Preparation contains the method for the sterilant of acylurea — 1986-09-03 — — CN disclosed
US-4104269-A Methoxymethoxy protected intermediates for photographic dyes POLAROID CORPORATION (US) 1978-08-01 — — US disclosed
US-4102753-A LOWER ALKYLENE GLYCOL, LOWER OXYALKYLENE GLYCOL, OR GLYCEROL PPG INDUSTRIES, INC. (US) 1978-07-25 — — US disclosed
US-4035401-A Intermediates for photographic dyes POLAROID CORPORATION (US) 1977-07-12 — — 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-11578074-B2 Nitrogenous heterocyclic compound, preparation method, intermediate, composition, and application ERBB2, EGFR, ERBB4 TDP1 4231/4885TSHR 633/4885SMN1; SMN2 3540/4885
US-20220372008-A1 LUCIFERIN DERIVATIVES AND A METHOD FOR SYNTHESIS THEREOF NQO1, DDT, GLO1 TDP1 957/4885TSHR 3539/4885SMN1; SMN2 4844/4885

“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.