SCHEMBL5544965

SCHEMBL5544965

O=C(O)c1ccc(-c2ccncc2)cc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 2/20 0.70
ACMSD Q8TDX5 2/20 0.70
QDPR P09417 1/20 0.60
CHUK O15111 1/20 0.57
PPM1B O75688 1/20 0.53
XDH P47989 8/20 0.52
SLC22A12 Q96S37 6/20 0.52
ALDH1A1 P00352 2/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
TSHR P16473 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
DHFR P00374 1/20 0.50
MCL1 Q07820 1/20 0.50
ERN1 O75460 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL18735541 0.88 ACMSD (0.88) HNF4AACMSDPPM1BXDHSLC22A12
SCHEMBL2773864 0.86 ACMSD (0.83) HNF4AACMSDPPM1BXDHSLC22A12
SCHEMBL29441950 0.86 ACMSD (0.83) HNF4AACMSDPPM1BXDHSLC22A12
SCHEMBL2483673 0.85 CHUK (0.56) HNF4AACMSDQDPRCHUKDHFR
Aminosalicylic Acid SCHEMBL22033509 0.84 ALDH1A1 (0.73) HNF4AACMSDCHUKPPM1BALDH1A1
SCHEMBL29810721 0.82 ACMSD (1.00) HNF4AACMSDPPM1BXDHSLC22A12
SCHEMBL2536183 0.82 ACMSD (1.00) HNF4AACMSDPPM1BXDHSLC22A12
SCHEMBL22126663 0.82 ACMSD (0.78) HNF4AACMSDPPM1BXDHSLC22A12
SCHEMBL30456738 0.82 ACMSD (0.77) HNF4AACMSDPPM1BXDHSLC22A12
SCHEMBL31070130 0.81 ACMSD (0.75) HNF4AACMSDPPM1BXDHSLC22A12

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200197418-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES CAUSED BY OXALATE ACCUMULATION UNIV GRANADA (ES) 2020-06-25 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
CN-1745071-A Novel ethylenediamine derivative DAIICHI SEIYAKU CO (JP) 2006-03-08 CN disclosed
EP-1031563-B1 SULFONYL DERIVATIVES DAIICHI SEIYAKU CO (JP) 2005-12-28 EP disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
US-20030232808-A1 Sulfonyl derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-12-18 US disclosed
US-6525042-B1 Inhibits an activated coagulation factor FXa; anticoagulant, antithrombotic DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-02-25 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP disclosed
CN-1278793-A Sulfonyl derivatives DAIICHI SEIYAKU CO (JP) 2001-01-03 CN disclosed
EP-1031563-A1 SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-08-30 EP 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S HNF4A 2906/4885ACMSD 651/4885QDPR 682/4885
US-20200197418-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES CAUSED BY OXALATE ACCUMULATION DOHH, OGDH, EGLN2 HNF4A 4553/4885ACMSD 1084/4885QDPR 139/4885
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 HNF4A 3800/4885ACMSD 555/4885QDPR 741/4885
US-20030232808-A1 Sulfonyl derivatives SULT1E1, SULT2A1, SULT1A1 HNF4A 334/4885ACMSD 1842/4885QDPR 2375/4885

“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.