Sugi Predict

Sugi Predict / Compounds / SCHEMBL104452

SCHEMBL104452

SCHEMBL104452

COc1cccc(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.59
▸ TSHR P16473 1/20 0.57
▸ HTT P42858 1/20 0.54
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA7 P43166 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ CA14 Q9ULX7 1/20 0.53
▸ CDK2 P24941 1/20 0.53
▸ KDM4E B2RXH2 4/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ CTDSP1 Q9GZU7 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ HPGD P15428 4/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ HSD17B10 Q99714 2/20 0.49
▸ KMT2A Q03164 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48

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
SCHEMBL29740471 1.00 PKM (0.59) PKMTSHRHTTCA12CA1
SCHEMBL4869351 0.88 TDP1 (0.50) PKMTSHRHTTKDM4ETDP1
SCHEMBL29574585 0.88 PKM (0.51) PKMTSHRHTTCA12CA1
SCHEMBL30542564 0.86 TDP1 (0.61) PKMHTTKDM4ETDP1POLB
SCHEMBL167965 0.86 TDP1 (0.61) PKMHTTKDM4ETDP1POLB
SCHEMBL2521491 0.86 HPGD (0.52) PKMTSHRKDM4ETDP1POLB
SCHEMBL1977244 0.86 HPGD (0.49) PKMTSHRCDK2KDM4ETDP1
SCHEMBL27635723 0.86 TP53 (0.66) PKMHTTKDM4ETDP1HPGD
SCHEMBL16955551 0.86 TDP1 (0.50) PKMCDK2KDM4ETDP1POLB
SCHEMBL6899895 0.85 PKM (0.46) PKMTSHRHTTCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118420558-B Zhu Gongjun acid derivative and preparation method and application thereof 济南爱思医药科技有限公司 2024-10-25 — — CN claimed
CN-118420558-A Zhu Gongjun acid derivative and preparation method and application thereof 济南爱思医药科技有限公司 2024-08-02 — — CN claimed
CN-118184679-A Photothermal agent and preparation method thereof, photothermal nanoparticle and preparation method thereof, insulating material and self-repairing method of insulating material 中国石油天然气股份有限公司 2024-06-14 — — CN claimed
CN-111138398-A Synthesis process of 2- (2-amino-3-methoxyphenyl) chromone 陕西国际商贸学院 2020-05-12 — — CN claimed
US-7732625-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-08 — — US claimed
US-7539006-B2 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2009-05-26 — — US claimed
US-7511000-B2 Gear part with lubrication coating and method of manufacturing the same NISSAN MOTOR CO., LTD. (JP) 2009-03-31 — — US claimed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 — — US claimed
US-20070029529-A1 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor KOMATSU AKIHIKO 2007-02-08 — — US claimed
US-7033424-B2 Phase change inks XEROX CORPORATION (US) 2006-04-25 — — US claimed
US-20060021546-A1 Processes for preparing phase change inks XEROX CORPORATION 2006-02-02 — — US claimed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 — — US claimed
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 — — US claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 — — US claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 — — US claimed
US-20040245105-A1 Electrolyte solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2004-12-09 — — US claimed
EP-1437749-A1 ELECTROLYTE SOLUTION FOR DRIVING ELECTROLYTIC CAPACITOR AND ELECTROLYTIC CAPACITOR Rubycon Corporation (JP) 2004-07-14 — — EP claimed
JP-2023604-A — — None — — JP disclosed
EP-0054936-A1 Aroyl amino acids USV PHARMACEUTICAL CORPORATION (US) 1982-06-30 — — EP disclosed
US-4247597-A Electroscopic carrier particles having a carboxylic acid surface treatment PITNEY BOWES, INC. (US) 1981-01-27 — — 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-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 PKM 2870/4885TSHR 2894/4885HTT 4009/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 PKM 3579/4885TSHR 4082/4885HTT 581/4885

“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.