SCHEMBL702267

SCHEMBL702267

CCOc1cc[c]cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.39
MAPT P10636 4/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
NQO1 P15559 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
MYC P01106 1/20 0.32
WDR5 P61964 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32

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
SCHEMBL4171673 0.85 HPGD (0.37) HPGDMAPTL3MBTL1TDP1SMN1; SMN2
SCHEMBL9799440 0.84 HPGD (0.39) HPGDMAPTL3MBTL1TDP1SMN1; SMN2
SCHEMBL21268144 0.83 CYP1A2 (0.41) HPGDMAPTL3MBTL1TDP1SMN1; SMN2
SCHEMBL127280 0.81 ALDH1A1 (0.39) HPGDMAPTL3MBTL1TDP1SMN1; SMN2
SCHEMBL27686647 0.81 PIK3CD (0.32) MAPT
SCHEMBL5685216 0.80
SCHEMBL2956325 0.79 L3MBTL1 (0.38) HPGDMAPTL3MBTL1TDP1SMN1; SMN2
SCHEMBL27822844 0.79 ALDH1A1 (0.39) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1231501 0.79 ALDH1A1 (0.38) HPGDMAPTL3MBTL1TDP1SMN1; SMN2
SCHEMBL16240200 0.77 KDM4E (0.44) HPGDSMN1; SMN2KDM4EMAPK1

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-7718769-B2 Tri-peptide hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-05-18 US claimed
US-7601709-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-10-13 US claimed
US-7273851-B2 Tri-peptide hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US claimed
US-20070161575-A1 Tri-peptide hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-07-12 US claimed
WO-2004113365-A9 HEPATITIS C SERINE PROTEASE TRI-PEPTIDE INHIBITORS 2006-03-23 WO claimed
US-20050261200-A1 Tri-peptide hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2005-11-24 US claimed
US-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2005-07-14 US claimed
WO-2004113365-A2 HEPATITIS C SERINE PROTEASE TRI-PEPTIDE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2004-12-29 WO claimed
CN-111954664-A Cystic fibrosis transmembrane conductance regulator and methods of use 艾伯维海外有限公司 2020-11-17 CN disclosed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US disclosed
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-8124584-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
EP-0023756-A2 Triazol and imidazol derivatives; processes for their preparation, pesticidal compositions containing them and their use; preparation of intermediates IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-02-11 EP disclosed
US-4217129-A Fungicidal and herbicidal triazole ketones IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-08-12 US disclosed
EP-0009298-A1 Heterocyclic compounds, processes for their preparation, pesticidal compositions containing them and methods of combating pests IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-04-02 EP disclosed
EP-0007707-A1 1,3-Diazol- and 1,2,4-triazol-derivatives, processes for their preparation, pesticidal compositions containing them and methods of combating pests IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-02-06 EP disclosed
US-3994724-A SUBSTITUTED ANILINE PHOTOCONDUCTOR SCOTT PAPER COMPANY (US) 1976-11-30 US disclosed
US-3959277-A Diimidazopyrazines and tetracarboxamidopyrazines E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-05-25 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 (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-20050261200-A1 Tri-peptide hepatitis C serine protease inhibitors PRSS1, VIP, HPN HPGD 1392/4885MAPT 3878/4885L3MBTL1 2827/4885
US-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, TMPRSS4 HPGD 1076/4885MAPT 4214/4885L3MBTL1 3122/4885
US-20070161575-A1 Tri-peptide hepatitis C serine protease inhibitors PRSS1, VIP, HPN HPGD 1392/4885MAPT 3878/4885L3MBTL1 2827/4885
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX HPGD 1114/4885MAPT 4724/4885L3MBTL1 1141/4885

“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.