SCHEMBL229214

SCHEMBL229214

COc1cccc2cc(N)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.53
NQO1 P15559 1/20 0.48
ALDH1A1 P00352 8/20 0.47
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 3/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
ADRA2B P18089 1/20 0.47
PTGS1 P23219 1/20 0.47
MCHR1 Q99705 1/20 0.44
MAPT P10636 3/20 0.44
GAA P10253 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
TUBB3 Q13509 1/20 0.44
CYP3A4 P08684 3/20 0.44
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42

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 SCHEMBL1114720 0.98 PLAU (0.52) PLAUNQO1ALDH1A1KDM4EHSD17B10
SCHEMBL14974588 0.87 TUBB3 (0.51) PLAUNQO1ALDH1A1KDM4EHSD17B10
SCHEMBL31610635 0.87 PLAU (0.49) PLAUNQO1ALDH1A1KDM4EHSD17B10
SCHEMBL5746728 0.86 ALDH1A1 (0.55) PLAUNQO1ALDH1A1KDM4EHSD17B10
SCHEMBL5748666 0.86 ALDH1A1 (0.55) PLAUNQO1ALDH1A1KDM4EHSD17B10
SCHEMBL1114836 0.85 CTDSP1 (0.53) NQO1ALDH1A1KDM4EHSD17B10HPGD
Hydrochloric Acid SCHEMBL1114622 0.83 CTDSP1 (0.52) NQO1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL20130647 0.81 MAPT (0.56) PLAUALDH1A1KDM4EHSD17B10HPGD
SCHEMBL1807259 0.80 ALDH1A1 (0.52) PLAUALDH1A1KDM4EHSD17B10HPGD
SCHEMBL2792602 0.80 HTR1B (0.46) PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805095-B Preparation method of (S) -5-methoxy-1, 2,3, 4-tetrahydro-N-propyl-2-naphthylamine 上海柏狮生物科技有限公司 2023-07-21 CN disclosed
WO-2023004400-A1 DIBENZOXANTHENE QUENCHERS, USES, AND METHODS OF PREPARATION Life Technologies Corporation (US) 2023-01-26 WO disclosed
US-11078214-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2021-08-03 US disclosed
US-11078214-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2021-08-03 US disclosed
US-20200079788-A1 MONOCYCLIC THIENO, PYRIDO, AND PYRROLO PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE OF SAME DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2020-03-12 US disclosed
US-10457688-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2019-10-29 US disclosed
US-10457688-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2019-10-29 US disclosed
EP-3242872-B1 (PIPERIDIN-3-YL)(NAPHTHALEN-2-YL)METHANONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HISTONE DEMETHYLASE KDM2B FOR THE TREATMENT OF CANCER GENENTECH INC (US) 2019-07-03 EP disclosed
US-10139400-B2 Carboxy X rhodamine analogs PROMEGA CORPORATION (US) 2018-11-27 US disclosed
US-20180265520-A1 MONOCYCLIC THIENO, PYRIDO, AND PYRROLO PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE OF SAME DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2018-09-20 US disclosed
EP-1242419-A1 AZABICYCLO 3.2.1]OCTANE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-09-25 EP disclosed
EP-1242411-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AND ANXIETY ELI LILLY AND COMPANY (US) 2002-09-25 EP disclosed
WO-2001046186-A1 BENZOFURAN DERIVATIVES ELI LILLY AND COMPANY (US) 2001-06-28 WO disclosed
WO-2001046179-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2001-06-28 WO disclosed
WO-2001046181-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AND ANXIETY ELI LILLY AND COMPANY (US) 2001-06-28 WO disclosed
WO-2001046187-A1 AZABICYCLO[3.2.1]OCTANE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-06-28 WO disclosed
WO-2001046177-A1 BENZOFURAN DERIVATIVES ELI LILLY AND COMPANY (US) 2001-06-28 WO disclosed
US-4022799-A DYEING, PRINTING OF NATURAL AND SYNTHETIC MATERIALS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-10 US disclosed
US-4001253-A NAPHTHOLACTAM DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1977-01-04 US disclosed
US-3950347-A NAPHTHOLACTAM DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-13 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 (5 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-20200079788-A1 MONOCYCLIC THIENO, PYRIDO, AND PYRROLO PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE OF SAME DPYD, TYMS, THPO PLAU 2036/4885NQO1 586/4885ALDH1A1 1608/4885
US-10139400-B2 Carboxy X rhodamine analogs PRCP, CPA3, CPA4 PLAU 1754/4885NQO1 2685/4885ALDH1A1 1788/4885
US-20180265520-A1 MONOCYCLIC THIENO, PYRIDO, AND PYRROLO PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE OF SAME TYMS, CYP4F3, DPYD PLAU 3993/4885NQO1 1296/4885ALDH1A1 1493/4885
US-11078214-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DPYD, TYMS, THPO PLAU 2036/4885NQO1 586/4885ALDH1A1 1608/4885
US-10457688-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DPYD, TPX2, TYMS PLAU 1902/4885NQO1 487/4885ALDH1A1 2459/4885

“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.