SCHEMBL17291027

SCHEMBL17291027

Cc1ccccc1-c1nn(C)c(O)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.39
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
HPGD P15428 3/20 0.37
ALOX15 P16050 2/20 0.37
MAPT P10636 2/20 0.37
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
NPC1 O15118 3/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL17290482 0.83 MBNL1 (0.41) SMN1; SMN2HPGDMAPTUSP2TSHR
SCHEMBL17290723 0.83 HSD11B1 (0.47) RAB9ASMN1; SMN2HPGDALOX15MAPT
SCHEMBL16963864 0.81 TLR8 (0.40) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL23398501 0.80 MAPT (0.41) TDP2RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL23402397 0.80 KDM5A (0.38) TDP2RAB9ASMN1; SMN2HPGDALOX15
SCHEMBL23400556 0.80 LDHA (0.37) TDP2RAB9ASMN1; SMN2HPGDALOX15
SCHEMBL17290320 0.80 ALDH1A1 (0.47) SMN1; SMN2HPGDTSHRALDH1A1ADORA2A
SCHEMBL23400928 0.80 TDP2 (0.36) TDP2RAB9ASMN1; SMN2HPGDALOX15
SCHEMBL23399273 0.79 ESR1 (0.40) TDP2RAB9ASMN1; SMN2HPGDALOX15
SCHEMBL17290658 0.79 HSD11B1 (0.51) CYP1A2CYP2C19

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 6 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
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 TDP2 653/4885RAB9A 2514/4885SMN1; SMN2 1078/4885

“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.