SCHEMBL4300552

SCHEMBL4300552

CC(C)(C)Oc1ccc(Oc2ccc(-c3nc4cncnc4s3)cc2C#N)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
XDH P47989 2/20 0.35
ABCC4 O15439 1/20 0.35
ABCB11 O95342 1/20 0.35
PGR P06401 1/20 0.35
CHRM1 P11229 1/20 0.35
PDE4A P27815 1/20 0.35
BLVRB P30043 1/20 0.35
TARBP2 Q15633 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
PIK3CA P42336 1/20 0.34
SCN9A Q15858 4/20 0.34
SLC22A12 Q96S37 5/20 0.34
AAK1 Q2M2I8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL2535698 0.87 SLC22A12 (0.44) ALDH1A1HPGDNPSR1SCN9ASLC22A12
SCHEMBL4141873 0.87 ALDH1A1 (0.38) ALDH1A1HPGDNPSR1XDHABCC4
SCHEMBL4159263 0.87 SLC22A12 (0.41) ALDH1A1HPGDNPSR1XDHABCC4
SCHEMBL2532037 0.87 ALDH1A1 (0.41) ALDH1A1HPGDNPSR1XDHABCC4
SCHEMBL4146427 0.86 ALDH1A1 (0.37) ALDH1A1HPGDNPSR1XDHABCC4
Potassium SCHEMBL4146433 0.86 ALDH1A1 (0.37) ALDH1A1HPGDNPSR1XDHABCC4
SCHEMBL4152592 0.82 ALDH1A1 (0.52) ALDH1A1HPGDNPSR1XDHABCC4
Hydrochloric Acid SCHEMBL4163294 0.82 ALDH1A1 (0.51) ALDH1A1HPGDNPSR1XDHABCC4
SCHEMBL4146990 0.81 SLC22A12 (0.46) ALDH1A1HPGDNPSR1SCN9ASLC22A12
SCHEMBL4154840 0.81 SLC22A12 (0.44) ALDH1A1HPGDNPSR1SCN9ASLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149452-A1 XANTHINE OXIDASE INHIBITOR NIPPON CHEMIPHAR CO., LTD. (JP) 2009-06-11 US disclosed
EP-1911760-A1 XANTHINE OXIDASE INHIBITOR Nippon Chemiphar Co., Ltd. (JP) 2008-04-16 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 (1 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-20090149452-A1 XANTHINE OXIDASE INHIBITOR XDH, PNPO, CBR1 ALDH1A1 304/4885HPGD 143/4885NPSR1 751/4885

“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.