SCHEMBL460224

SCHEMBL460224

CCCCCc1cnco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
PPARA Q07869 2/20 0.34
TBXAS1 P24557 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
MAPT P10636 1/20 0.33
PTGS2 P35354 2/20 0.32
HRH4 Q9H3N8 1/20 0.32
ESR1 P03372 2/20 0.31
ADRA2A P08913 2/20 0.31
ADORA3 P0DMS8 2/20 0.31
TACR2 P21452 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL21210714 0.98 CYP3A4 (0.40) CYP3A4CYP2D6TDP1L3MBTL1KCNH2
SCHEMBL23963172 0.98 CYP3A4 (0.40) CYP3A4CYP2D6TDP1L3MBTL1KCNH2
SCHEMBL19134142 0.98 CYP3A4 (0.40) CYP3A4CYP2D6TDP1L3MBTL1KCNH2
Hydrochloric Acid SCHEMBL3733909 0.98 CYP3A4 (0.40) CYP3A4CYP2D6TDP1L3MBTL1KCNH2
SCHEMBL5373758 0.94
SCHEMBL5537391 0.78 ALDH1A1 (0.33) CYP3A4TDP1ALDH1A1
SCHEMBL5544928 0.77
SCHEMBL21742813 0.76 MEN1 (0.37) L3MBTL1HRH3MAPTHRH4ALDH1A1
SCHEMBL20937684 0.74 LMNA (0.37) CYP3A4CYP2D6LMNA
SCHEMBL23940063 0.73 CYP3A4 (0.35) CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109535143-B Pyrazole amide derivative containing 5-aryl oxazole structure and preparation method and application thereof 南通大学 2021-12-10 CN claimed
JP-5139030-A None JP disclosed
US-11905258-B2 2-aminoaryl-5-aryloxazole analogs for the treatment of neurodegenerative diseases SOUTHERN RESEARCH INSTITUTE (US) 2024-02-20 US disclosed
US-20230002331-A1 2-AMINOARYL-5-ARYLOXAZOLE ANALOGS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SOUTHERN RES INST (US) 2023-01-05 US disclosed
US-20210188791-A1 2-AMINOARYL-5-ARYLOXAZOLE ANALOGS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SOUTHERN RESEARCH INSTITUTE 2021-06-24 US disclosed
WO-2019164996-A1 2-AMINOARYL-5-ARYLOXAZOLE ANALOGS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SOUTHERN RESEARCH INSTITUTE (US) 2019-08-29 WO disclosed
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO disclosed
CN-101679368-A Aryl azoles, aryl diazole and benzimidizole derivatives HOFFMANN LA ROCHE 2010-03-24 CN disclosed
EP-0921800-A1 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 1999-06-16 EP disclosed
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US disclosed
US-5827869-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB COMPANY (US) 1998-10-27 US disclosed
WO-1997029748-A1 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-21 WO disclosed
US-5612359-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB COMPANY (US) 1997-03-18 US disclosed
EP-0702012-A1 Substituted isoxazole sulfonamides and their use as endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1996-03-20 EP disclosed
JP-H05139030-A THERMAL RECORDING MATERIAL MITSUI TOATSU CHEM INC 1993-06-08 JP disclosed
US-4409231-A HYPOTENSIVE AGENT BEIERSDORF AKTIENGESELLSCHAFT (DE) 1983-10-11 US disclosed
US-4409231-A HYPOTENSIVE AGENT BEIERSDORF AKTIENGESELLSCHAFT (DE) 1983-10-11 US disclosed
US-4129661-A 4,5-Dihydro-2-lower alkoxycarbonylamino-4-phenylimidazoles and substituted phenyl derivatives thereof SYNTEX (U.S.A.) INC. (US) 1978-12-12 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 (4 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-11905258-B2 2-aminoaryl-5-aryloxazole analogs for the treatment of neurodegenerative diseases SMN1; SMN2, TDP2, NFKBIA CYP3A4 3458/4885CYP2D6 2564/4885TDP1 5/4885
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 CYP3A4 22/4885CYP2D6 183/4885TDP1 4076/4885
US-20230002331-A1 2-AMINOARYL-5-ARYLOXAZOLE ANALOGS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SMN1; SMN2, TDP2, NFKBIA CYP3A4 3458/4885CYP2D6 2564/4885TDP1 5/4885
US-20210188791-A1 2-AMINOARYL-5-ARYLOXAZOLE ANALOGS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SMN1; SMN2, TDP2, NFKBIA CYP3A4 3458/4885CYP2D6 2564/4885TDP1 5/4885

“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.