SCHEMBL77287

SCHEMBL77287

O=C(Cl)Cc1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.50
ERBB2 P04626 5/20 0.50
TAAR1 Q96RJ0 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
MAPK8 P45983 1/20 0.46
GLS O94925 1/20 0.46
HCAR2 Q8TDS4 1/20 0.45
NPC1 O15118 1/20 0.44
ESR1 P03372 1/20 0.44
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
NR3C2 P08235 1/20 0.44
AR P10275 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL4191880 0.85 CTBP2 (0.44) MEN1ALDH1A1KMT2A
SCHEMBL1448505 0.83 EGFR (0.53) EGFRERBB2TAAR1IDO1AGXT
SCHEMBL78652 0.82 AKR1B1 (0.58) EGFRERBB2TAAR1SIGMAR1HCAR2
SCHEMBL1357383 0.82 EGFR (0.51) EGFRERBB2TAAR1IDO1AGXT
Bromobenzene SCHEMBL28248354 0.82 CES1 (0.52) EGFRERBB2SIGMAR1MEN1ALDH1A1
SCHEMBL3008052 0.81 EGFR (0.48) EGFRERBB2TAAR1SIGMAR1IDO1
SCHEMBL3962652 0.81 TAAR1 (0.53) TAAR1IDO1AGXTHCAR2NPC1
Methane SCHEMBL10697726 0.80 AKR1B1 (0.56) EGFRERBB2TAAR1SIGMAR1HCAR2
SCHEMBL2578166 0.80 MAPK8 (0.52) EGFRERBB2TAAR1IDO1AGXT
Hydrochloric Acid SCHEMBL1374336 0.80 AKR1B1 (0.56) EGFRERBB2TAAR1SIGMAR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024298-A Tertiary amide compound containing naphthyl and its preparation method and application 北京中医药大学 2023-11-10 CN claimed
CN-111153865-A Parecoxib sodium substituted impurity and preparation method thereof 上海臣邦医药科技股份有限公司 2020-05-15 CN claimed
CN-111153866-A Parecoxib sodium disubstituted impurity and preparation method and application thereof 上海臣邦医药科技股份有限公司 2020-05-15 CN claimed
US-12110279-B2 Triazolones, tetrazolones, and imidazolones, or their salts, and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2024-10-08 US disclosed
EP-4326715-A1 TRIAZOLONES, TETRAZOLONES, AND IMIDAZOLONES, OR THEIR SALTS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Yuhan Corporation (KR) 2024-02-28 EP disclosed
CN-117203205-A Triazolone, tetrazolone and imidazolone or salts thereof, and pharmaceutical compositions containing the same 柳韩洋行 2023-12-08 CN disclosed
CN-117024298-A Tertiary amide compound containing naphthyl and its preparation method and application 北京中医药大学 2023-11-10 CN disclosed
US-11773077-B2 Compounds containing carbon-carbon linker as GPR120 agonists Piramal Enterprises Limited (IN) 2023-10-03 US disclosed
US-20220380324-A1 TRIAZOLONES, TETRAZOLONES, AND IMIDAZOLONES, OR THEIR SALTS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2022-12-01 US disclosed
WO-2022224195-A1 TRIAZOLONES, TETRAZOLONES, AND IMIDAZOLONES, OR THEIR SALTS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2022-10-27 WO disclosed
EP-3253745-B1 COMPOUNDS CONTAINING CARBON-CARBON LINKER AS GPR120 AGONISTS PIRAMAL ENTPR LTD (IN) 2021-09-29 EP disclosed
EP-0846694-A1 Morphinan derivative and its pharmaceutical applications TORAY INDUSTRIES, INC. (JP) 1998-06-10 EP disclosed
WO-1998017662-A1 PHENYL-SUBSTITUTED BICYCLIC HETEROCYCLYL DERIVATIVES AND THEIR USE NOVARTIS AG (CH) 1998-04-30 WO disclosed
WO-1997044321-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-11-27 WO disclosed
EP-0758243-A4 BINDING OF E-SELECTIN, P-SELECTIN OR L-SELECTIN TO SIALYL-LEWISx OR SIALYL-LEWISa TEXAS BIOTECHNOLOGY CORP (US) 1997-08-20 EP disclosed
EP-0758243-A1 BINDING OF E-SELECTIN, P-SELECTIN OR L-SELECTIN TO SIALYL-LEWISx OR SIALYL-LEWISa TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-02-19 EP disclosed
WO-1995029682-A1 BINDING OF E-SELECTIN, P-SELECTIN OR L-SELECTIN TO SIALYL-LEWISx OR SIALYL-LEWIS?a¿ TEXAS BIOTECHNOLOGY CORPORATION (US) 1995-11-09 WO disclosed
EP-0663401-A1 MORPHINAN DERIVATIVE AND MEDICINAL USE TORAY INDUSTRIES, INC. (JP) 1995-07-19 EP disclosed
EP-0577847-A1 MORPHINAN DERIVATIVE AND MEDICINAL USE TORAY INDUSTRIES, INC. (JP) 1994-01-12 EP disclosed
US-4086423-A CEPHALOSPORINS, CYCLOADDITION OF GLYCINE DERIVATIVE TO THIAZINE COMPOUND MERCK & CO., INC. (US) 1978-04-25 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-11773077-B2 Compounds containing carbon-carbon linker as GPR120 agonists GPR180, GPR68, GPR88 EGFR 1520/4885ERBB2 837/4885TAAR1 119/4885
US-12110279-B2 Triazolones, tetrazolones, and imidazolones, or their salts, and pharmaceutical compositions comprising the same VAPB, VAPA, FABP1 EGFR 4088/4885ERBB2 4237/4885TAAR1 378/4885
US-20220380324-A1 TRIAZOLONES, TETRAZOLONES, AND IMIDAZOLONES, OR THEIR SALTS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPB, VAPA, FABP1 EGFR 4088/4885ERBB2 4237/4885TAAR1 378/4885

“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.