SCHEMBL266738

SCHEMBL266738

C=CN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TSHR P16473 2/20 0.48
AOC3 Q16853 1/20 0.44
GAA P10253 1/20 0.44
G6PC1 P35575 1/20 0.42
CA2 P00918 1/20 0.40
MAOB P27338 1/20 0.40
CALM1 P0DP23 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
CYP2C19 P33261 1/20 0.39
MGLL Q99685 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38

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 SCHEMBL3922809 0.98 ALDH1A1 (0.46) ALDH1A1TSHRAOC3GAAG6PC1
SCHEMBL7741256 0.89 ALDH1A1 (0.43) ALDH1A1TSHRAOC3GAAG6PC1
SCHEMBL8415458 0.87 TSHR (0.48) ALDH1A1TSHRAOC3GAAMAOB
SCHEMBL4631652 0.87 GAA (0.43) ALDH1A1TSHRAOC3GAAG6PC1
Hydrochloric Acid SCHEMBL9147171 0.85 TSHR (0.47) ALDH1A1TSHRAOC3GAAMAOB
SCHEMBL27372036 0.85 GAA (0.42) ALDH1A1TSHRAOC3GAAG6PC1
SCHEMBL7117996 0.83 CARM1 (0.53) ALDH1A1TSHRAOC3GAACA2
Hydrochloric Acid SCHEMBL5427413 0.83 TAAR1 (0.45) ALDH1A1TSHRAOC3GAACYP2C19
Hydrochloric Acid SCHEMBL7127060 0.82 CARM1 (0.52) ALDH1A1TSHRAOC3GAACA2
SCHEMBL29000907 0.82 GAA (0.40) ALDH1A1TSHRAOC3GAAG6PC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024029481-A1 ANTI-HBV AGENT 国立研究開発法人理化学研究所 2024-02-08 WO disclosed
WO-2023032492-A1 REACTION ACCELERATOR ENEOS株式会社 2023-03-09 WO disclosed
EP-2448952-B1 NOVEL GUANOSINE-RICH MODIFIED OLIGONUCLEOTIDES AND ANTIPROLIFERATIVE ACTIVITY THEREOF APTABIO THERAPEUTICS INC (KR) 2016-10-12 EP disclosed
CN-104159893-B Piperidine compound or salt thereof TAIHO PHARMACEUTICAL CO.,LTD. (JP) 2016-05-11 CN disclosed
EP-2399925-B1 METHOD FOR FLUORESCENTLY LABELING PROTEIN UNIV OSAKA (JP) 2015-08-19 EP disclosed
US-9056886-B2 Guanosine-rich modified oligonucleotides and antiproliferative activity thereof APTABIO THERAPEUTICS INC. (KR) 2015-06-16 US disclosed
US-20150119251-A1 AGRICULTURAL PLANT-PROTECTING AGENTS CONTAINING DIPEPTIDE DERIVATIVE AS ACTIVE INGREDIENT REPUBLIC OF KOREA (RURAL DEVELOPMENT ADMINISTRATION) (KR) 2015-04-30 US disclosed
CN-104159893-A Novel piperidine compound or salt thereof TAIHO PHARMACEUTICAL CO LTD 2014-11-19 CN disclosed
CN-104024414-A Antisense nucleic acid NIPPON SHINYAKU CO LTD 2014-09-03 CN disclosed
US-20140227282-A1 THERAPEUTIC AGENT FOR PANCREATIC CANCER AND/OR BILIARY TRACT CANCER AJINOMOTO CO., INC. (JP) 2014-08-14 US disclosed
WO-1994005667-A1 CARBAPENEM DERIVATIVES AND PROCESSES FOR PREPARING THE SAME DONG-A PHARMACEUTICAL CO., LTD. (KR) 1994-03-17 WO disclosed
US-5147750-A Amino group containing polymers; narrow electrostatic charge distribution SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1992-09-15 US disclosed
CN-1059729-A Novel polypeptide compound and preparation method thereof FUJISAWA PHARMACEUTICAL CO (JP) 1992-03-25 CN disclosed
CN-1056690-A PYRROLOPYRIDAZINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO (JP) 1991-12-04 CN disclosed
EP-0206621-B1 PROCESS FOR DISPROPORTIONATING SILANES MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-11-15 EP disclosed
EP-0111326-B1 PROCESS FOR THE MANUFACTURE OF CHIRAL AZETIDINONES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1989-01-11 EP disclosed
US-4663469-A 4-hydroxy-l-threoninamides HOFFMAN-LA ROCHE INC. (US) 1987-05-05 US disclosed
EP-0206621-A1 Process for disproportionating silanes MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-12-30 EP disclosed
CN-85106532-A The preparation of Cephem Derivative 1986-10-01 CN disclosed
US-4502994-A Enantiomeric synthesis of 3-amino-4-carbamoyloxymethyl-2-azetidonone-1-sulfate HOFFMANN-LA ROCHE INC. (US) 1985-03-05 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 (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-20150119251-A1 AGRICULTURAL PLANT-PROTECTING AGENTS CONTAINING DIPEPTIDE DERIVATIVE AS ACTIVE INGREDIENT PEPD, DNPEP, DPP7 ALDH1A1 4580/4885TSHR 3540/4885AOC3 4259/4885

“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.