SCHEMBL4990205

SCHEMBL4990205

CCC(C)OC(=O)C(NC(=O)c1cnccn1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
HTT P42858 2/20 0.47
LONP1 P36776 6/20 0.47
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 3/20 0.45
LMNA P02545 1/20 0.45
PSMB5 P28074 3/20 0.44
PSMB11 A5LHX3 2/20 0.44
PSMA7 O14818 2/20 0.44
PSMB1 P20618 2/20 0.44
PSMA1 P25786 2/20 0.44
PSMA2 P25787 2/20 0.44
PSMA3 P25788 2/20 0.44
PSMA4 P25789 2/20 0.44
PSMB8 P28062 2/20 0.44
PSMB9 P28065 2/20 0.44
PSMA5 P28066 2/20 0.44

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
SCHEMBL4990235 0.83 ALDH1A1 (0.42) SMN1; SMN2HTTNPC1RAB9APOLB
SCHEMBL4990580 0.83 ACACB (0.49) SMN1; SMN2HTTNPC1RAB9ATP53
SCHEMBL4988590 0.80 XIAP (0.40) KDM4EKMT2AMAPT
SCHEMBL4985552 0.80 TRPA1 (0.41) NPSR1MAPK1MAPT
SCHEMBL4985300 0.79 HCAR3 (0.45) KDM4EMAPK1MAPT
SCHEMBL4988913 0.79 CHRM2 (0.39) KMT2AMAPT
SCHEMBL4991288 0.79 CHRM2 (0.39)
SCHEMBL21968828 0.78 SMN1; SMN2 (0.52) SMN1; SMN2HTTLONP1NPC1RAB9A
SCHEMBL21968898 0.78 SMN1; SMN2 (0.52) SMN1; SMN2HTTLONP1NPC1RAB9A
SCHEMBL30786951 0.78 SMN1; SMN2 (0.52) SMN1; SMN2HTTLONP1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R SMN1; SMN2 3713/4885HTT 3347/4885LONP1 1194/4885

“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.