SCHEMBL16166329

SCHEMBL16166329

CCOC(=O)c1nnn(C(C)c2ccc(Cl)cc2)c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
CYP19A1 P11511 2/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA9 Q16790 1/20 0.45
SLC5A1 P13866 1/20 0.44
SLC5A2 P31639 1/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ELANE P08246 1/20 0.43
TARBP2 Q15633 1/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.41
TP53 P04637 1/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
APP P05067 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL16166256 0.82 HPGD (0.43) CA1CA2CA4CA9MAPT
SCHEMBL24966930 0.78 TP53 (0.51) CYP19A1SLC5A1SLC5A2KDM4ENPC1
SCHEMBL28829961 0.78 SMN1; SMN2 (0.52) SMN1; SMN2SLC5A1SLC5A2KDM4ENPC1
SCHEMBL10989449 0.78 SMN1; SMN2 (0.75) SMN1; SMN2CYP19A1CA1CA2CA4
SCHEMBL25064660 0.75 HPGD (0.44) SMN1; SMN2KDM4ERAB9AMAPTHPGD
SCHEMBL24966874 0.73 TP53 (0.51) CYP19A1SLC5A1SLC5A2KDM4ENPC1
SCHEMBL23234141 0.73 TP53 (0.51) CYP19A1SLC5A1SLC5A2KDM4ENPC1
SCHEMBL24966765 0.71 TP53 (0.49) CYP19A1SLC5A1SLC5A2KDM4ENPC1
SCHEMBL24966914 0.71 CYP1A2 (0.50) SMN1; SMN2CYP19A1SLC5A1SLC5A2KDM4E
SCHEMBL24966761 0.71 TP53 (0.48) CYP19A1SLC5A1SLC5A2KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210047329-A1 SUBSTITUTED 4,6-DIHYDROSPIRO[[1,2,3]TRIAZOLO[4,5-B]PYRIDINE-7,3'-INDOLINE]-2',5(3H)-DIONE ANALOGUES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-02-18 US disclosed
WO-2014167528-A1 SPIROPYRAZOLOPYRIDINE DERIVATIVES AND USES THEREOF FOR THE TREATMENT OF VIRAL INFECTIONS NOVARTIS AG (CH) 2014-10-16 WO disclosed
WO-2014167528-A1 SPIROPYRAZOLOPYRIDINE DERIVATIVES AND USES THEREOF FOR THE TREATMENT OF VIRAL INFECTIONS NOVARTIS AG (CH) 2014-10-16 WO 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-20210047329-A1 SUBSTITUTED 4,6-DIHYDROSPIRO[[1,2,3]TRIAZOLO[4,5-B]PYRIDINE-7,3'-INDOLINE]-2',5(3H)-DIONE ANALOGUES DHPS, QDPR, HTR5A SMN1; SMN2 1793/4885CYP19A1 1765/4885CA1 3364/4885

“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.