SCHEMBL7729347

SCHEMBL7729347

Cn1[nH]c(-c2ccc(Cl)cc2)cc1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.52
ALDH1A1 P00352 7/20 0.52
MAPT P10636 5/20 0.52
GAA P10253 3/20 0.52
THRB P10828 2/20 0.52
TSHR P16473 1/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TP53 P04637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4A O75164 1/20 0.45
KDM5A P29375 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
KDM5B Q9UGL1 1/20 0.45

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
SCHEMBL23402953 0.83 KDM4E (0.49) KDM4EALDH1A1MAPTGAATHRB
SCHEMBL761767 0.83 MEN1 (0.41) KDM4EALDH1A1MAPTGAATHRB
SCHEMBL5394842 0.81 MAPT (0.52) KDM4EALDH1A1MAPTTHRBNPC1
SCHEMBL4309468 0.81 MEN1 (0.58) KDM4EALDH1A1MAPTGAATHRB
SCHEMBL27394752 0.81 MEN1 (0.55) KDM4EALDH1A1MAPTGAANPC1
SCHEMBL11124678 0.78 ALDH1A1 (0.48) KDM4EALDH1A1MAPTGAATHRB
SCHEMBL23400749 0.71 MEN1 (0.51) KDM4EALDH1A1MAPTGAATHRB
SCHEMBL17996526 0.70 GAA (0.43) KDM4EALDH1A1MAPTGAATHRB
SCHEMBL28264301 0.70 MAPT (0.54) KDM4EALDH1A1MAPTGAATHRB
SCHEMBL2637858 0.69 ALDH1A1 (0.50) KDM4EALDH1A1MAPTGAATHRB

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 7 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
US-6420367-B1 RAS GENE SHIONOGO & CO., LTD. (JP) 2002-07-16 US disclosed
EP-1097933-A1 PYRIMIDINE DERIVATIVES EXHIBITING ANTITUMOR ACTIVITY SHIONOGI & CO., LTD. (JP) 2001-05-09 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-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS TNNI3, PFKP, NOX5 KDM4E 3651/4885ALDH1A1 1883/4885MAPT 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.