Sugi Predict

Sugi Predict / Compounds / SCHEMBL1821844

SCHEMBL1821844

SCHEMBL1821844

[CH2]c1ccccc1C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PBRM1 Q86U86 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NSD2 O96028 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA4 P22748 2/20 0.39
▸ CA7 P43166 2/20 0.39
▸ CA9 Q16790 2/20 0.39

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
SCHEMBL279655 0.81 ALDH1A1 (0.53) PBRM1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL1574451 0.79 THRB (0.41) PBRM1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL1683823 0.79 THRB (0.46) PBRM1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL9008317 0.78 ALDH1A1 (0.50) PBRM1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL7596837 0.78 ALDH1A1 (0.50) PBRM1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL11373632 0.78 ALDH1A1 (0.50) PBRM1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL8577016 0.77 THRB (0.42) PBRM1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL8015497 0.77 MEN1 (0.34) ALDH1A1KDM4EALOX15KMT2AMAPT
SCHEMBL142530 0.77 ALDH1A1 (0.65) ALDH1A1KDM4ESMN1; SMN2ALOX15MAPT
SCHEMBL526049 0.75 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAL3MBTL1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111484438-B Polysubstituted indole derivative and metal catalysis preparation method thereof 湖北科技学院 2023-02-03 — — CN claimed
CN-111484438-A Polysubstituted indole derivative and metal catalysis preparation method thereof 湖北科技学院 2020-08-04 — — CN claimed
CN-105906591-A Synthesis method of 2-amino-gamma-butyrolactone hydrochloride 中国药科大学 2016-08-31 — — CN claimed
EP-2234987-B1 PERHYDROQUINOXALINE DERIVATIVES AS ANALGESICS WOLFF AUGUST GMBH & CO KG ARZNEIMITTEL DR (DE) 2012-12-12 — — EP claimed
CN-102653543-A Preparation method, biological activity and application of 3-substituted type Jolkinolide compound UNIV CHINA PHARMA 2012-09-05 — — CN claimed
US-7935847-B2 Nitroxyl ion source with second order reaction nitroxyl release DUKE UNIVERSITY (US) 2011-05-03 — — US claimed
US-20100311761-A1 PERHYDROQUINOXALINE DERIVATIVES DR. AUGUST WOLFF GMBH & CO. KG - ARZNEIMITTEL (DE) 2010-12-09 — — US claimed
EP-2234987-A2 PERHYDROQUINOXALINE DERIVATIVES AS ANALGESICS Dr. August Wolff GmbH & Co. KG Arzneimittel (DE) 2010-10-06 — — EP claimed
WO-2009080745-A2 PERHYDROQUINOXALINE DERIVATIVES Westfälische Wilhelms Universität Münster (DE) 2009-07-02 — — WO claimed
US-7173156-B1 Thioacetate deprotection THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2007-02-06 — — US claimed
US-5610294-A VIRAL TREATMENT THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-03-11 — — US claimed
WO-1996040652-A1 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-19 — — WO claimed
US-5559110-A HIV ANTIVIRAL, GOOD SYSTEMIC ABSORPTION ADMINISTERED BY MOUTH THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-24 — — US claimed
US-5543517-A VIRICIDES THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-08-06 — — US claimed
US-5532357-A Method for preparing N-monosubstituted and N,N'-disubstituted unsymmetrical cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-02 — — US claimed
EP-0691961-A1 SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-17 — — EP claimed
EP-0686151-A1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-12-13 — — EP claimed
WO-1994022840-A1 SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 — — WO claimed
WO-1994019329-A1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-09-01 — — WO claimed
EP-0284174-A1 Therapeutic preparations IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-09-28 — — EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100311761-A1 PERHYDROQUINOXALINE DERIVATIVES FH, HOGA1, SDHA PBRM1 794/4885ALDH1A1 973/4885KDM4E 948/4885

“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.