Sugi Predict

Sugi Predict / Compounds / SCHEMBL3480822

SCHEMBL3480822

SCHEMBL3480822

COc1cc(N)c([N+](=O)[O-])cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.58
▸ MAPT P10636 5/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ ALOX15 P16050 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ PRKDC P78527 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ HTT P42858 1/20 0.55
▸ TDP1 Q9NUW8 6/20 0.53
▸ TSHR P16473 2/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.46

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
SCHEMBL6375580 0.92 HTT (0.55) ALDH1A1MAPTCYP3A4ALOX15KDM4E
SCHEMBL8009996 0.90 HTT (0.58) ALDH1A1MAPTCYP3A4ALOX15KDM4E
SCHEMBL9106099 0.90 HTT (0.58) ALDH1A1MAPTCYP3A4ALOX15KDM4E
SCHEMBL16543579 0.88 MAPT (0.55) ALDH1A1MAPTCYP3A4ALOX15KDM4E
SCHEMBL11013467 0.88 MAPT (0.55) ALDH1A1MAPTCYP3A4ALOX15KDM4E
SCHEMBL9531415 0.87 ALDH1A1 (0.46) ALDH1A1MAPTCYP3A4ALOX15KDM4E
SCHEMBL5330357 0.87 HTT (0.50) ALDH1A1MAPTCYP3A4ALOX15KDM4E
SCHEMBL5952815 0.87 HTT (0.50) ALDH1A1MAPTCYP3A4ALOX15KDM4E
SCHEMBL4799531 0.86 HTT (0.58) ALDH1A1MAPTCYP3A4ALOX15KDM4E
SCHEMBL6815710 0.86 HTT (0.58) ALDH1A1MAPTCYP3A4ALOX15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111362867-A Mobile terminal, shell assembly, electrochromic material and preparation method thereof 宁波祢若电子科技有限公司 2020-07-03 — — CN claimed
CN-118401531-A Benzimidazole compound and medical application thereof 中国科学院上海药物研究所 2024-07-26 — — CN disclosed
WO-2023131333-A1 BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2023-07-13 — — WO disclosed
WO-2023131333-A1 BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2023-07-13 — — WO disclosed
CN-111362867-B Mobile terminal, shell assembly, electrochromic material and preparation method thereof 宁波祢若电子科技有限公司 2023-04-18 — — CN disclosed
CN-111362867-A Mobile terminal, shell assembly, electrochromic material and preparation method thereof 宁波祢若电子科技有限公司 2020-07-03 — — CN disclosed
US-9725465-B2 Biaryl acetamide compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2017-08-08 — — US disclosed
US-20150065468-A1 BIARYL ACETAMIDE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2015-03-05 — — US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 — — US disclosed
US-20120022070-A1 Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use EMORY UNIVERSITY (US) 2012-01-26 — — US disclosed
EP-0346465-A1 1-CARBOXY-1-VYNILOXYIMINOAMINOTHIAZOLE CEPHALOSPORING DERIVATIVES AND PROCESS FOR THEIR PREPARATION BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-12-20 — — EP disclosed
US-4772619-A ANTIULCER AGENTS G. D. SEARLE & CO. (US) 1988-09-20 — — US disclosed
EP-0241901-A2 Cephalosporin derivatives, processes for their preparation and antibacterial agents Banyu Pharmaceutical Co., Ltd. (JP) 1987-10-21 — — EP disclosed
US-4687775-A ANTIULCER AGENTS G. D. SEARLE & CO. (US) 1987-08-18 — — US disclosed
US-4554279-A PLASMODICIDAL THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1985-11-19 — — US disclosed
EP-0131292-A2 Benzotriazole derivatives and their use BASF Aktiengesellschaft (DE) 1985-01-16 — — EP disclosed
US-4431807-A PARASITICIDES; MALARIA; TISSUE AND BLOOD DISORDERS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1984-02-14 — — US disclosed
US-4216320-A Quinoxaline bleach catalysts CIBA-GEIGY AG (CH) 1980-08-05 — — US disclosed
US-4167638-A Process for production of 8-NHR quinolines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1979-09-11 — — US disclosed
US-4145217-A DYE BLEACH CATALYST CIBA-GEIGY AG (CH) 1979-03-20 — — 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-20150065468-A1 BIARYL ACETAMIDE COMPOUNDS AND METHODS OF USE THEREOF ERBB2, ERBB3, AADAC ALDH1A1 1370/4885MAPT 2862/4885CYP3A4 3568/4885
US-20120022070-A1 Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use HSP90AB1, HSP90AA1, HSP90AB2P ALDH1A1 2606/4885MAPT 357/4885CYP3A4 4507/4885

“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.