SCHEMBL97028

SCHEMBL97028

Cc1c(F)cccc1[C]=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
ACHE P22303 2/20 0.37
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
HDAC4 P56524 1/20 0.34
TP53 P04637 1/20 0.33
GRM5 P41594 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HDAC9 Q9UKV0 1/20 0.32
BCHE P06276 1/20 0.31
HCAR1 Q9BXC0 1/20 0.31
TAAR1 Q96RJ0 2/20 0.31
CYP2D6 P10635 1/20 0.31
DAO P14920 1/20 0.31
PARP1 P09874 1/20 0.31
HSD17B1 P14061 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
SCHEMBL422904 0.77 TSHR (0.48) ACHEESR1ESR2
SCHEMBL935878 0.77 ACHE (0.37) ACHEESR1ESR2SMN1; SMN2CES2
SCHEMBL16952233 0.77 ACHE (0.37) ACHEESR1ESR2SMN1; SMN2CES2
SCHEMBL31021254 0.77 TSHR (0.48) ACHEESR1ESR2
SCHEMBL357469 0.76 CES2 (0.43) CES2CES1HDAC4BCHEDAO
SCHEMBL1312250 0.76 CYP3A4 (0.43) CYP3A4ACHESMN1; SMN2ALDH1A1GAA
SCHEMBL28558 0.75
SCHEMBL7705802 0.74 CES2 (0.36) CES2CES1ALDH1A1BCHE
SCHEMBL254224 0.74
SCHEMBL2053018 0.73 ALDH1A1 (0.46) CYP3A4SMN1; SMN2HDAC4GRM5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232994-A1 Bicyclic thiophene derivatives and combinatorial libraries thereof LION BIOSCIENCE AG (DE) 2003-12-18 US claimed
US-6660858-B2 Made by reacting a benzoxazole with a leaving group at the 2 position and a diamine of given formula LION BIOSCIENCE AG (DE) 2003-12-09 US claimed
US-20020161028-A1 2-aminobenzoxazole derivatives and combinatorial libraries thereof LION BIOSCIENCE, AG (DE) 2002-10-31 US claimed
WO-2002079753-A2 2-AMINOBENZOXAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2002-10-10 WO claimed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-7964531-B2 3-phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same MITSUI CHEMICALS AGRO, INC. (JP) 2011-06-21 US disclosed
CN-101068810-B Carbostyril compound OTSUKA PHARMA CO LTD 2011-02-09 CN disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20100041555-A1 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same MITSUI CHEMICALS AGRO, INC. (JP) 2010-02-18 US disclosed
EP-1556349-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS Astrazeneca AB (SE) 2005-07-27 EP disclosed
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same SANKYO AGRO COMPANY, LIMITED (JP) 2005-02-17 US disclosed
EP-1426365-A1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME Sankyo Agro Company, Limited (JP) 2004-06-09 EP disclosed
WO-2004033427-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS ASTRAZENECA AB (SE) 2004-04-22 WO disclosed
US-20030232994-A1 Bicyclic thiophene derivatives and combinatorial libraries thereof LION BIOSCIENCE AG (DE) 2003-12-18 US disclosed
US-6660858-B2 Made by reacting a benzoxazole with a leaving group at the 2 position and a diamine of given formula LION BIOSCIENCE AG (DE) 2003-12-09 US disclosed
US-20020161028-A1 2-aminobenzoxazole derivatives and combinatorial libraries thereof LION BIOSCIENCE, AG (DE) 2002-10-31 US disclosed
WO-2002079753-A2 2-AMINOBENZOXAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2002-10-10 WO 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 (5 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-20020161028-A1 2-aminobenzoxazole derivatives and combinatorial libraries thereof BCAT2, IL4I1, BCAT1 CYP3A4 113/4885ACHE 4334/4885ESR1 3691/4885
US-20030232994-A1 Bicyclic thiophene derivatives and combinatorial libraries thereof CXCR2, BICRA, CXCR1 CYP3A4 273/4885ACHE 3799/4885ESR1 2085/4885
US-20100041555-A1 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same CBR3, DDT, CBR1 CYP3A4 89/4885ACHE 48/4885ESR1 2816/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CYP3A4 953/4885ACHE 3708/4885ESR1 2684/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 CYP3A4 132/4885ACHE 68/4885ESR1 2410/4885

“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.