SCHEMBL3787979

SCHEMBL3787979

O=C(Nc1ccc(Cl)cc1C(=O)OCc1ccccc1)Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.51
ALDH1A1 P00352 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SERPINE1 P05121 1/20 0.46
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 2/20 0.45
GLA P06280 1/20 0.45
ATM Q13315 1/20 0.45
OPRK1 P41145 1/20 0.45
POLB P06746 2/20 0.45
TAAR1 Q96RJ0 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44

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
SCHEMBL3782993 0.92 ALDH1A1 (0.53) CASP3ALDH1A1L3MBTL1NPSR1CYP1A2
SCHEMBL3786372 0.88 TSHR (0.50) CASP3ALDH1A1L3MBTL1NPSR1CYP1A2
SCHEMBL3784326 0.85 KDM4E (0.62) ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL1095126 0.82 CASP3 (0.58) CASP3L3MBTL1CYP1A2CYP2C19KDM4E
SCHEMBL3781996 0.81 ALDH1A1 (0.55) ALDH1A1NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL4850871 0.81 RXFP1 (0.52) CASP3ALDH1A1L3MBTL1NPSR1CYP1A2
SCHEMBL1131165 0.81 CASP3 (0.61) CASP3L3MBTL1SERPINE1KDM4EGAA
SCHEMBL9043087 0.80 MAPT (0.64) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3791023 0.79 ALDH1A1 (0.58) ALDH1A1L3MBTL1NPSR1CYP1A2CYP3A4
SCHEMBL3779399 0.78 ALDH1A1 (0.57) CASP3ALDH1A1L3MBTL1NPSR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029695-A1 METHOD OF TREATING DERMATITIS COMPRISING ADMINISTERING A CHYMASE INHIBITOR ASUBIO PHARMA CO., LTD. (JP) 2010-02-04 US disclosed
US-7618977-B2 Method of treating dermatitis comprising administering a chymase inhibitor ASUBIO PHARMA CO., LTD. (JP) 2009-11-17 US disclosed
EP-1142586-B1 USE OF CHYMASE INHIBITORS AGAINST VASCULAR LIPID DEPOSITION DAIICHI ASUBIO PHARMA CO LTD (JP) 2007-04-25 EP disclosed
US-7169951-B2 Quinazoline derivatives and pharmaceutical applications thereof DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2007-01-30 US disclosed
EP-1174151-B1 THERAPEUTIC TREATMENT OF EOSINOPHILIA USING CHYMASE INHIBITORS AS THE ACTIVE INGREDIENT DAIICHI ASUBIO PHARMA CO LTD (JP) 2007-01-24 EP disclosed
EP-1192950-B1 THERAPEUTIC DRUGS FOR DERMATITIS EXHIBITING A BIPHASIC SKIN REACTION CONTAINING CHYMASE INHIBITORS AS THE ACTIVE INGREDIENT DAIICHI ASUBIO PHARMA CO LTD (JP) 2006-07-26 EP disclosed
EP-1114035-B1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF DAIICHI ASUBIO PHARMA CO LTD (JP) 2006-05-17 EP disclosed
CN-1216872-C Quinazoline derivative and pharmaceutical use thereof SUNTORY LTD (JP) 2005-08-31 CN disclosed
US-6921766-B1 Blood vessel lipid deposition-preventive agent comprising chymase-inhibitor DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-07-26 US disclosed
US-20050148608-A1 Quinazoline derivatives and pharmaceutical applications thereof DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-07-07 US disclosed
US-20020183339-A1 Medicament for prevention and treatment of dermatitis having chymase inhibitor as effective ingredient DAIICHI SANKYO COMPANY, LIMITED (JP) 2002-12-05 US disclosed
US-20020183338-A1 PREVENTIVE OR THERAPEUTIC DRUGS FOR FIBROSIS CONTAINING CHYMASE INHIBITORS AS THE ACTIVE INGREDIENT ASUBIO PHARMA CO., LTD. (JP) 2002-12-05 US disclosed
EP-1192949-A1 PREVENTIVE OR THERAPEUTIC DRUGS FOR FIBROSIS CONTAINING CHYMASE INHIBITORS AS THE ACTIVE INGREDIENT SUNTORY LIMITED (JP) 2002-04-03 EP disclosed
EP-1192950-A1 PREVENTIVE OR THERAPEUTIC DRUGS FOR DERMATITISES CONTAINING CHYMASE INHIBITORS AS THE ACTIVE INGREDIENT SUNTORY LIMITED (JP) 2002-04-03 EP disclosed
CN-1335778-A Blood vessel lipid deposition inhibitor containing chymotrypsin inhibitor SUNTORY LTD (JP) 2002-02-13 CN disclosed
EP-1174151-A1 PREVENTIVE OR THERAPEUTIC DRUGS FOR VARIOUS EOSINOPHILIA-RELATED DISEASES CONTAINING CHYMASE INHIBITORS AS THE ACTIVE INGREDIENT SUNTORY LIMITED (JP) 2002-01-23 EP disclosed
CN-1319096-A Quinazoline derivative and pharmaceutical use thereof SUNTORY LTD (JP) 2001-10-24 CN disclosed
EP-1142586-A1 INHIBITORS AGAINST VASCULAR LIPID DEPOSITION CONTAINING CHYMASE-INHIBITING SUBSTANCES SUNTORY LIMITED (JP) 2001-10-10 EP disclosed
EP-1114035-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF SUNTORY LIMITED (JP) 2001-07-11 EP disclosed
WO-2000010982-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEROF SUNTORY LIMITED (JP) 2000-03-02 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 (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-20020183339-A1 Medicament for prevention and treatment of dermatitis having chymase inhibitor as effective ingredient CMA1, SERPINB1, TSLP CASP3 371/4885ALDH1A1 3114/4885L3MBTL1 3767/4885
US-20050148608-A1 Quinazoline derivatives and pharmaceutical applications thereof CMA1, ACE, ACE2 CASP3 1545/4885ALDH1A1 1525/4885L3MBTL1 4835/4885
US-20020183338-A1 PREVENTIVE OR THERAPEUTIC DRUGS FOR FIBROSIS CONTAINING CHYMASE INHIBITORS AS THE ACTIVE INGREDIENT CMA1, MMP1, SERPINB1 CASP3 821/4885ALDH1A1 460/4885L3MBTL1 2790/4885
US-20100029695-A1 METHOD OF TREATING DERMATITIS COMPRISING ADMINISTERING A CHYMASE INHIBITOR CMA1, DNPEP, SERPINB1 CASP3 569/4885ALDH1A1 3296/4885L3MBTL1 3497/4885

“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.