SCHEMBL17290665

SCHEMBL17290665

Cn1nc(C(C)(C)C)c(-c2ccccc2)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
MAPT P10636 2/20 0.41
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 4/20 0.37
KMT2A Q03164 3/20 0.37
CDK8 P49336 1/20 0.37
ACVR1 Q04771 1/20 0.37
GLA P06280 1/20 0.37
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
XBP1 P17861 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL23400427 0.85 LMNA (0.33) POLBMAPTNR1H2NR1H3RAB9A
SCHEMBL23403326 0.81 SMN1; SMN2 (0.47) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL23399763 0.80 NPC1 (0.44) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL23399843 0.80 SMN1; SMN2 (0.36) POLBMAPTSMN1; SMN2HPGDLMNA
SCHEMBL23403417 0.80 KDM4E (0.42) POLBMAPTNR1H3SMN1; SMN2HPGD
SCHEMBL11937215 0.79 POLB (0.51) POLBMAPTNR1H2NR1H3NPC1
SCHEMBL23399451 0.79 KDM4E (0.40) POLBMAPTNR1H2NR1H3SMN1; SMN2
SCHEMBL23403065 0.77 NR1H3 (0.49) MAPTNR1H3KMT2AMEN1KDM4E
SCHEMBL23401154 0.77 MAPT (0.62) POLBMAPTNR1H2NR1H3NPC1
SCHEMBL17290362 0.77 TP53 (0.51) POLBMAPTSMN1; SMN2LMNAKMT2A

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 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 POLB 3091/4885MAPT 3895/4885NR1H2 230/4885

“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.