SCHEMBL436984

SCHEMBL436984

ON=C(Cl)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CYP3A4 P08684 1/20 0.50
ATM Q13315 1/20 0.50
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
ALOX15 P16050 1/20 0.44
LMNA P02545 5/20 0.42
GAA P10253 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CYP2A6 P11509 1/20 0.42
GSK3B P49841 2/20 0.39
SRD5A2 P31213 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL436983 1.00 TSHR (0.50) TSHRMAPK1L3MBTL1CYP3A4ATM
SCHEMBL4039683 1.00 TSHR (0.50) TSHRMAPK1L3MBTL1CYP3A4ATM
SCHEMBL11814265 0.89 ALDH1A1 (0.33) TSHRMAPK1L3MBTL1CYP3A4ATM
SCHEMBL16235776 0.87 MAOA (0.47) TSHRMAPK1L3MBTL1CYP3A4ATM
Acetic Acid SCHEMBL9471064 0.87 TSHR (0.50) TSHRMAPK1L3MBTL1CYP3A4ATM
SCHEMBL16235775 0.87 MAOA (0.47) TSHRMAPK1L3MBTL1CYP3A4ATM
Acetic Acid SCHEMBL9471071 0.87 TSHR (0.50) TSHRMAPK1L3MBTL1CYP3A4ATM
SCHEMBL10045039 0.79 MEN1 (0.50) TSHRMAPK1CYP3A4ALOX15LMNA
SCHEMBL4201943 0.77 TPMT (0.42) CA1CA2GSK3B
SCHEMBL8249574 0.77 ALDH1A1 (0.44) MAPK1ATMCES2CES1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7048206-A None JP disclosed
JP-6049797-A None JP disclosed
EP-3615525-B1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS SENTINEL ONCOLOGY LTD (GB) 2024-12-25 EP disclosed
US-20240376089-A1 3-HYDROXY-5-(ISOXAZOL-5-YL) PYRIDINE FORMYLGLYCINE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE CHINA PHARMACEUTICAL UNIVERSITY (CN) 2024-11-14 US disclosed
CN-116535399-B 3-hydroxy-5- (isoxazol-5-yl) pyridine formyl glycine compound, preparation method, pharmaceutical composition and application 中国药科大学 2024-02-27 CN disclosed
US-11884656-B2 Pyrrole derivatives as PLK1 inhibitors SENTINEL ONCOLOGY LIMITED (GB) 2024-01-30 US disclosed
CN-116535399-A 3-hydroxy-5- (isoxazol-5-yl) pyridine formyl glycine compound, preparation method, pharmaceutical composition and application 中国药科大学 2023-08-04 CN disclosed
WO-2023142214-A1 3-HYDROXY-5-(ISOXAZOL-5-YL) PYRIDINE FORMYLGLYCINE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE 中国药科大学 2023-08-03 WO disclosed
CN-114524776-A Tetrazole compound and application thereof 中国科学院广州生物医药与健康研究院 2022-05-24 CN disclosed
US-20220135552-A1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2022-05-05 US disclosed
JP-H0649797-A SLIME CONTROL AGENT FOR PRODUCING PAPER PERMACHEM ASIA LTD 1994-02-22 JP disclosed
US-5114960-A Rheumatoid arthritis; antiinflammatory and antishock agents; gastrointestinal and respiratory system disorders HOFFMANN-LA ROCHE INC. (US) 1992-05-19 US disclosed
EP-0409273-A2 Substituted isoxazole and isothiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-01-23 EP disclosed
US-4283403-A Substituted isoxazolines for control of plant phytopathogens ELI LILLY AND COMPANY (US) 1981-08-11 US disclosed
US-4261728-A PREEMERGENT ACTIVITY MONSANTO COMPANY (US) 1981-04-14 US disclosed
US-4187099-A 3-Aryl-4-isothiazolecarboxylic acid and 3-aryl-4-isoxazolecarboxylic acid derivatives and their use as herbicides MONSANTO COMPANY (US) 1980-02-05 US disclosed
US-4144047-A SOYBEANS MONSANTO COMPANY (US) 1979-03-13 US disclosed
US-4018645-A Method of controlling slime during paper manufacture using alpha-chloro-acylbenzaldoxime derivatives SOMAR MANUFACTURING CO., LTD. (JA) 1977-04-19 US disclosed
US-3983246-A N-(sulfonyloxy) benzimidoyl halides as bactericidal or fungicidal agents FMC CORPORATION (US) 1976-09-28 US disclosed
US-3968240-A α-Chloro-o-acylbenzaldoxime derivatives as slime control agents SOMAR MANUFACTURING CO., LTD. (JA) 1976-07-06 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-11884656-B2 Pyrrole derivatives as PLK1 inhibitors PLK1, CDK1, AURKC TSHR 542/4885MAPK1 485/4885L3MBTL1 3964/4885
US-20240376089-A1 3-HYDROXY-5-(ISOXAZOL-5-YL) PYRIDINE FORMYLGLYCINE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE HIF1AN, HIF1A, EGLN3 TSHR 3911/4885MAPK1 2620/4885L3MBTL1 4572/4885
US-20220135552-A1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS PLK1, CDK1, AURKC TSHR 542/4885MAPK1 485/4885L3MBTL1 3964/4885

“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.