SCHEMBL436983

SCHEMBL436983

O/N=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
SCHEMBL4039683 1.00 TSHR (0.50) TSHRMAPK1L3MBTL1CYP3A4ATM
SCHEMBL436984 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 118 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3615525-B1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS SENTINEL ONCOLOGY LTD (GB) 2024-12-25 EP disclosed
US-12162890-B2 Heteroaromatic NMDA receptor modulators and uses thereof NOVARTIS AG (CH) 2024-12-10 US 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
US-11884656-B2 Pyrrole derivatives as PLK1 inhibitors SENTINEL ONCOLOGY LIMITED (GB) 2024-01-30 US disclosed
US-20230023543-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2023-01-26 US disclosed
US-20230023543-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2023-01-26 US disclosed
US-20220135552-A1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2022-05-05 US disclosed
US-20220135552-A1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2022-05-05 US disclosed
US-11236104-B2 Heteroaromatic NMDA receptor modulators and uses thereof CADENT THERAPEUTICS, INC. (US) 2022-02-01 US disclosed
US-11236104-B2 Heteroaromatic NMDA receptor modulators and uses thereof CADENT THERAPEUTICS, INC. (US) 2022-02-01 US disclosed
WO-2007039389-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 US disclosed
US-20070027141-A1 DERIVATIVES OF ALKYLPIPERAZINE AND ALKYLHOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2007-02-01 US disclosed
US-20070021426-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2007-01-25 US disclosed
US-20060089365-A1 Heterocyclic compounds useful as nurr-1 activators NOVARTIS AG (CH) 2006-04-27 US disclosed
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP disclosed
US-5378702-A Thiadizinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-01-03 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 (12 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-11236104-B2 Heteroaromatic NMDA receptor modulators and uses thereof GRIN2C, GRIN2A, GRIN1 TSHR 759/4885MAPK1 3654/4885L3MBTL1 4411/4885
US-12162890-B2 Heteroaromatic NMDA receptor modulators and uses thereof GRIN2C, GRIN2A, GRIN1 TSHR 759/4885MAPK1 3654/4885L3MBTL1 4411/4885
US-11884656-B2 Pyrrole derivatives as PLK1 inhibitors PLK1, CDK1, AURKC TSHR 542/4885MAPK1 485/4885L3MBTL1 3964/4885
US-20070027141-A1 DERIVATIVES OF ALKYLPIPERAZINE AND ALKYLHOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS FAAH, FAAH2, CNR2 TSHR 1087/4885MAPK1 3522/4885L3MBTL1 4765/4885
US-20060089365-A1 Heterocyclic compounds useful as nurr-1 activators NCOR1, NCOR2, NR4A1 TSHR 103/4885MAPK1 1951/4885L3MBTL1 2456/4885
US-20070021426-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS FAAH, FAAH2, CNR2 TSHR 1350/4885MAPK1 4562/4885L3MBTL1 3280/4885
US-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR TSHR 534/4885MAPK1 1148/4885L3MBTL1 2718/4885
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-20230023543-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN2C, GRIN2A, GRIN1 TSHR 759/4885MAPK1 3654/4885L3MBTL1 4411/4885
US-20070066668-A1 Isoxazolo derivatives GABRA5, GABRA4, GABRA1 TSHR 707/4885MAPK1 3874/4885L3MBTL1 3951/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 TSHR 583/4885MAPK1 485/4885L3MBTL1 1898/4885
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.