SCHEMBL672377

SCHEMBL672377

COn1cc(C=O)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.62
IMPDH2 P12268 1/20 0.62
KDM4E B2RXH2 2/20 0.50
POLB P06746 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 2/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
UBE2N P61088 1/20 0.49
HTT P42858 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL29826894 1.00 ALDH1A1 (0.62) ALDH1A1IMPDH2KDM4EPOLBTDP1
SCHEMBL22955043 0.83 ALDH1A1 (0.56) ALDH1A1IMPDH2KDM4EPOLBTDP1
SCHEMBL22955597 0.83 ALDH1A1 (0.56) ALDH1A1IMPDH2KDM4EPOLBTDP1
SCHEMBL1829917 0.82 ALDH1A1 (0.54) ALDH1A1IMPDH2KDM4EPOLBTDP1
SCHEMBL1727452 0.77 ALDH1A1 (0.49) ALDH1A1IMPDH2KDM4EPOLBTDP1
SCHEMBL21222695 0.77 ALDH1A1 (0.38) ALDH1A1IMPDH2KDM4EPOLBTDP1
SCHEMBL29365374 0.77 ALDH1A1 (1.00) ALDH1A1IMPDH2KDM4EPOLBTDP1
SCHEMBL378958 0.77 ALDH1A1 (1.00) ALDH1A1IMPDH2KDM4EPOLBTDP1
SCHEMBL27590599 0.77 ALDH1A1 (0.55) ALDH1A1IMPDH2KDM4EPOLBTDP1
SCHEMBL788705 0.76 MEN1 (0.45) ALDH1A1IMPDH2KDM4EMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023089225-A1 EXTRACTION OF PEPTIDES AND GLUCOSINOLATES FROM PLANT MATERIAL OF THE BRASSICA GENUS AND USE THEREOF IN COSMETIC APPLICATIONS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2023-05-25 WO claimed
WO-2007126889-A1 PREPARATION OF TEGASEROD ACETATE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-11-08 WO claimed
WO-2007084761-A1 MALEATE SALT OF TEGASEROD AND CRYSTALLINE FORMS THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-07-26 WO claimed
EP-4006014-B1 PYRIMIDINE COMPOUND ACTING ON EGFR AND ERBB2 CHINA RESOURCES PHARMACEUTICAL HOLDINGS COMPANY LTD (CN) 2023-10-11 EP disclosed
WO-2023089225-A1 EXTRACTION OF PEPTIDES AND GLUCOSINOLATES FROM PLANT MATERIAL OF THE BRASSICA GENUS AND USE THEREOF IN COSMETIC APPLICATIONS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2023-05-25 WO disclosed
US-11530196-B2 Pyrimidine compound acting on EGFR and ERBB2 CHINA RESOURCES PHARMACEUTICAL HOLDINGS COMPANY LIMITED (CN) 2022-12-20 US disclosed
EP-4006014-A1 PYRIMIDINE COMPOUND ACTING ON EGFR AND ERBB2 Medshine Discovery Inc. (CN) 2022-06-01 EP disclosed
WO-2021018017-A1 PYRIMIDINE COMPOUND ACTING ON EGFR AND ERBB2 南京明德新药研发有限公司 2021-02-04 WO disclosed
US-9458200-B2 Method for producing intermediates for the production of novel macrocycles that are inhibitors of the proteasomic degradation of p27, such as argyrin and derivatives thereof, and uses of said macrocycles GOTTFRIED WILHELM LEIBNIZ UNIVERSITÄT HANNOVER (DE) 2016-10-04 US disclosed
EP-2605658-A1 SPIROXAZOLIDINONE COMPOUNDS Merck Sharp & Dohme Corp. (US) 2013-06-26 EP disclosed
EP-2303916-B1 METHOD FOR PRODUCING INTERMEDIATES FOR THE PRODUCTION OF NOVEL MACROCYCLES THAT ARE INHIBITORS OF THE PROTEASOMIC DEGRADATION OF P27, SUCH AS ARGYRIN AND DERIVATIVES THEREOF, AND USES OF SAID MACROCYCLES HELMHOLTZ INFEKTIONSFORSCHUNG (DE) 2012-05-09 EP disclosed
US-20110311564-A1 Method for Producing Intermediates for the Production of Novel Macrocycles that are Inhibitors of the Proteasomic Degradation of p27, such as Argyrin and Derivatives Thereof, and Uses of Said Macrocycles GOTTFRIED WILHELM LEIBNIZ UNIVERSITAT HANNOVER (DE) 2011-12-22 US disclosed
EP-2303916-A1 METHOD FOR PRODUCING INTERMEDIATES FOR THE PRODUCTION OF NOVEL MACROCYCLES THAT ARE INHIBITORS OF THE PROTEASOMIC DEGRADATION OF P27, SUCH AS ARGYRIN AND DERIVATIVES THEREOF, AND USES OF SAID MACROCYCLES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2011-04-06 EP disclosed
WO-2010030727-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2010-03-18 WO disclosed
WO-2010006682-A1 METHOD FOR PRODUCING INTERMEDIATES FOR THE PRODUCTION OF NOVEL MACROCYCLES THAT ARE INHIBITORS OF THE PROTEASOMIC DEGRADATION OF P27, SUCH AS ARGYRIN AND DERIVATIVES THEREOF, AND USES OF SAID MACROCYCLES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-01-21 WO disclosed
EP-2138507-A1 Method for producing intermediates for the production of novel macrocycles that are inhibitors of the proteasomic degradation of p27, such as argyrin and derivatives thereof, and uses of said macrocycles Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2009-12-30 EP disclosed
US-6656963-B2 Inhibits tumor cell growth THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-12-02 US disclosed
US-20030087946-A1 Indole-3-carbinol (I3C) derivatives and methods THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-05-08 US disclosed
US-6369095-B1 ANTITUMOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-04-09 US disclosed
US-6150395-A CYCLIN DEPENDENT KINASE (CDK) INHIBITORS INHIBIT THE GROWTH OF ESTROGEN-DEPENDENT OR INDEPENDENT BREAST CANCER CELLS AND OTHER TYPES OF CANCER CELLS THAT REVEAL INDUCED CDK6; ANTIESTROGENS; ANTITUMOR AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-11-21 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-20030087946-A1 Indole-3-carbinol (I3C) derivatives and methods CDK6, CDK3, CDKL3 ALDH1A1 3650/4885IMPDH2 860/4885KDM4E 1015/4885
US-11530196-B2 Pyrimidine compound acting on EGFR and ERBB2 ERBB2, ERBB3, EGFR ALDH1A1 3162/4885IMPDH2 611/4885KDM4E 4188/4885
US-20110311564-A1 Method for Producing Intermediates for the Production of Novel Macrocycles that are Inhibitors of the Proteasomic Degradation of p27, such as Argyrin and Derivatives Thereof, and Uses of Said Macrocycles SKP2, CDKN1A, PSMC1 ALDH1A1 3888/4885IMPDH2 1500/4885KDM4E 1695/4885

“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.