SCHEMBL17320650

SCHEMBL17320650

O=Cc1cc2oc(=O)oc2cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
PRKDC P78527 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PTPN1 P18031 1/20 0.41
ERN1 O75460 8/20 0.40
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
XDH P47989 1/20 0.35
ALDH5A1 P51649 1/20 0.35
ABAT P80404 1/20 0.35
VCAM1 P19320 1/20 0.35
LMNA P02545 1/20 0.35
ALDH3A1 P30838 1/20 0.33

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
SCHEMBL9215364 0.76 ALDH1A1 (0.62) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL30770947 0.76 KMO (0.44) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL12845094 0.74 MAPT (0.55) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL17311194 0.71 XDH (0.46) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL1094404 0.71 ALDH1A1 (0.56) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL17347250 0.70 SRC (0.38) MAPTALDH1A1CYP3A4HSD17B10MEN1
SCHEMBL31692856 0.70 HNF4A (0.54) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL30412897 0.69 ALDH1A1 (0.55) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL4988910 0.69 HSD17B10 (0.55) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL5610655 0.69 ALOX15 (0.55) MAPTALDH1A1KDM4ECYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580379-B2 Xanthine oxidase inhibitors and methods of use BAYLOR COLLEGE OF MEDICINE (US) 2017-02-28 US disclosed
US-9580379-B2 Xanthine oxidase inhibitors and methods of use BAYLOR COLLEGE OF MEDICINE (US) 2017-02-28 US disclosed
WO-2015191635-A2 XANTHINE OXIDASE INHIBITORS AND METHODS OF USE BAYLOR COLLEGE OF MEDICINE (US) 2015-12-17 WO disclosed
US-20150353471-A1 XANTHINE OXIDASE INHIBITORS AND METHODS OF USE BAYLOR COLLEGE OF MEDICINE 2015-12-10 US disclosed
US-20150353471-A1 XANTHINE OXIDASE INHIBITORS AND METHODS OF USE BAYLOR COLLEGE OF MEDICINE 2015-12-10 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 (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-20150353471-A1 XANTHINE OXIDASE INHIBITORS AND METHODS OF USE XDH, PNPO, AOX1 MAPT 3718/4885ALDH1A1 408/4885KDM4E 3137/4885

“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.