SCHEMBL4055616

SCHEMBL4055616

CC(=O)Nc1ccc(O)c(N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.57
▸ ALDH1A1 P00352 3/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ PKM P14618 1/20 0.54
▸ CA12 O43570 2/20 0.53
▸ CA1 P00915 2/20 0.53
▸ CA2 P00918 2/20 0.53
▸ CA9 Q16790 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ BRD4 O60885 1/20 0.53
▸ NR1I2 O75469 1/20 0.53
▸ MB P02144 1/20 0.53
▸ CYP1A1 P04798 1/20 0.53
▸ CA3 P07451 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ RARG P13631 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ ALOX5AP P20292 1/20 0.53

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
Hydrochloric Acid SCHEMBL11740154 0.98 TDP1 (0.55) TDP1ALDH1A1CYP1A2PKMCA12
SCHEMBL33701 0.85 PKM (0.59) TDP1ALDH1A1CYP1A2PKMCA12
SCHEMBL29415477 0.85 PKM (0.59) TDP1ALDH1A1CYP1A2PKMCA12
SCHEMBL30442658 0.84 TDP1 (0.60) TDP1ALDH1A1CYP1A2CA12CA1
SCHEMBL7509092 0.84 TDP1 (0.60) TDP1ALDH1A1CYP1A2CA12CA1
SCHEMBL9818524 0.84 ENPP2 (0.51) TDP1ALDH1A1CYP1A2PKMCA12
Hydrochloric Acid SCHEMBL7155376 0.83 PKM (0.57) TDP1ALDH1A1CYP1A2PKMCA12
Hydrochloric Acid SCHEMBL7516181 0.82 TDP1 (0.58) TDP1ALDH1A1CYP1A2CA12CA1
SCHEMBL3192352 0.82 PKM (0.65) TDP1ALDH1A1CYP1A2PKMCA12
SCHEMBL8921186 0.82 PKM (0.64) ALDH1A1PKMCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547713-B2 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2009-06-16 — — US claimed
US-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2006-05-25 — — US claimed
CN-114269725-B Anti-influenza virus compound, preparation method and application thereof 西藏海思科制药有限公司 2024-09-17 — — CN disclosed
US-20230079045-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-03-16 — — US disclosed
CN-114436876-B Continuous synthesis method of 2-amino-4-acetamino anisole 中国科学院大连化学物理研究所 2023-03-14 — — CN disclosed
CN-114436876-A Continuous synthesis method of 2-amino-4-acetamino anisole 中国科学院大连化学物理研究所 2022-05-06 — — CN disclosed
CN-114269725-A Anti-influenza virus compound and preparation method and application thereof 四川海思科制药有限公司 2022-04-01 — — CN disclosed
CN-111039915-B Raf kinase inhibitor, preparation method, pharmaceutical composition and application thereof 北京鑫开元医药科技有限公司 2022-01-11 — — CN disclosed
CN-113563217-A Method for synthesizing N, N-diethyl-3-acetaminoaniline by using supergravity reactor and tubular reactor 浙江迪邦化工有限公司 2021-10-29 — — CN disclosed
CN-113423398-A MEK inhibitor and application thereof in medicine 贝达药业股份有限公司 2021-09-21 — — CN disclosed
US-11040963-B2 Piperazine derivatives for influenza virus inhibitions JANSSEN VACCINES & PREVENTION B.V. (NL) 2021-06-22 — — US disclosed
EP-0144776-A2 Fibre-reactive chromium complexes, their preparation and their use CIBA-GEIGY AG (CH) 1985-06-19 — — EP disclosed
EP-0142104-A2 Fibre-reactive chromium complexes, their preparation and their use CIBA-GEIGY AG (CH) 1985-05-22 — — EP disclosed
EP-0141416-A2 Fibre-reactive chromium complexes, their preparation and their use CIBA-GEIGY AG (CH) 1985-05-15 — — EP disclosed
EP-0079563-A2 Water soluble 1:2 metal complex azo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1983-05-25 — — EP disclosed
EP-0069376-A2 Copper complexes of monoazo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1983-01-12 — — EP disclosed
EP-0011048-B1 A PROCESS FOR THE MANUFACTURE OF SUBSTANTIALLY PURE 3-AMINO-4-ALKOXY-ACYLANILIDES FROM 2,4-DINITROCHLOROBENZENE Toms River Chemical Corporation (US) 1982-01-27 — — EP disclosed
US-4283556-A Process for the manufacture of substantially pure 3-amino-4-alkoxy-acylanilides from 2,4-dinitrochlorobenzene TOMS RIVER CHEMICAL CORPORATION (US) 1981-08-11 — — US disclosed
EP-0011048-A1 A process for the manufacture of substantially pure 3-amino-4-alkoxy-acylanilides from 2,4-dinitrochlorobenzene Toms River Chemical Corporation (US) 1980-05-14 — — EP disclosed
US-3985763-A DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-10-12 — — 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 (3 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-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives PTGS2, PTGES2, PTGES TDP1 3288/4885ALDH1A1 483/4885CYP1A2 8/4885
US-11040963-B2 Piperazine derivatives for influenza virus inhibitions HAVCR2, BAZ2A, MAVS TDP1 4859/4885ALDH1A1 631/4885CYP1A2 1856/4885
US-20230079045-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF IDE, ACE, SI TDP1 4524/4885ALDH1A1 1085/4885CYP1A2 869/4885

“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.

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