SCHEMBL17290482

SCHEMBL17290482

Cc1c(-c2ccccc2F)nn(C)c1O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MBNL1 Q9NR56 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 6/20 0.38
TP53 P04637 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 2/20 0.36
HSD11B1 P28845 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.35

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
SCHEMBL17291027 0.83 TDP2 (0.39) SMN1; SMN2MAPTTP53ALDH1A1HPGD
SCHEMBL17290324 0.81 TDP1 (0.41) MBNL1SMN1; SMN2MAPTTP53KDM4E
SCHEMBL17290723 0.80 HSD11B1 (0.47) SMN1; SMN2MAPTTP53KDM4EALDH1A1
SCHEMBL31617414 0.80 MBNL1 (0.41) MBNL1SMN1; SMN2MAPTTP53KDM4E
SCHEMBL17290842 0.80 USP7 (0.40) MAPTTP53KDM4EALDH1A1HPGD
SCHEMBL17290526 0.80 KDM4A (0.40) MBNL1MAPTTP53ALDH1A1TSHR
SCHEMBL17290658 0.80 HSD11B1 (0.51) HSD11B1
SCHEMBL17290320 0.78 ALDH1A1 (0.47) SMN1; SMN2TP53KDM4EALDH1A1HPGD
SCHEMBL17290562 0.76 HSD11B1 (0.48) ALDH1A1HSD11B1
SCHEMBL17290611 0.75 RECQL (0.46) SMN1; SMN2MAPTTP53KDM4EALDH1A1

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
EP-3148972-B1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS INC (US) 2019-08-21 EP disclosed
US-9682938-B2 Pyrazolone derivatives as nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-06-20 US disclosed
EP-3148972-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS Cardioxyl Pharmaceuticals Inc. (US) 2017-04-05 EP disclosed
WO-2015183839-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2015-12-03 WO disclosed
US-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2015-12-03 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-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS TNNI3, PFKP, NOX5 MBNL1 1489/4885SMN1; SMN2 1078/4885MAPT 3895/4885

“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.