SCHEMBL3781996

SCHEMBL3781996

O=C(Nc1cc(O)ccc1C(=O)OCc1ccccc1)Oc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
KDM4E B2RXH2 5/20 0.55
HPGD P15428 4/20 0.55
GAA P10253 2/20 0.55
GLA P06280 1/20 0.55
ATM Q13315 1/20 0.55
TRPV1 Q8NER1 1/20 0.52
TDP1 Q9NUW8 2/20 0.49
LMNA P02545 2/20 0.47
EGFR P00533 1/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP1A2 P05177 1/20 0.44
STAT1 P42224 1/20 0.44
SLC6A2 P23975 1/20 0.43

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 0.88 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL3785093 0.88 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL3791023 0.87 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL3789176 0.84 ALDH1A1 (0.76) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL3787979 0.81 CASP3 (0.51) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL1548979 0.76 ALDH1A1 (0.67) ALDH1A1TDP1LMNAEGFRRAB9A
SCHEMBL24031099 0.75 NPC1 (0.55) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL4758455 0.75 TDP1 (0.73) ALDH1A1GAATDP1LMNAEGFR
SCHEMBL7472861 0.75 TSHR (0.67) ALDH1A1KDM4EHPGDTDP1LMNA
SCHEMBL3779399 0.74 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDGAAGLA

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-1192950-A1 PREVENTIVE OR THERAPEUTIC DRUGS FOR DERMATITISES CONTAINING CHYMASE INHIBITORS AS THE ACTIVE INGREDIENT SUNTORY LIMITED (JP) 2002-04-03 EP 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
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 ALDH1A1 3114/4885KDM4E 1816/4885HPGD 1523/4885
US-20050148608-A1 Quinazoline derivatives and pharmaceutical applications thereof CMA1, ACE, ACE2 ALDH1A1 1525/4885KDM4E 2745/4885HPGD 932/4885
US-20020183338-A1 PREVENTIVE OR THERAPEUTIC DRUGS FOR FIBROSIS CONTAINING CHYMASE INHIBITORS AS THE ACTIVE INGREDIENT CMA1, MMP1, SERPINB1 ALDH1A1 460/4885KDM4E 2639/4885HPGD 610/4885
US-20100029695-A1 METHOD OF TREATING DERMATITIS COMPRISING ADMINISTERING A CHYMASE INHIBITOR CMA1, DNPEP, SERPINB1 ALDH1A1 3296/4885KDM4E 1961/4885HPGD 1622/4885

“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.