SCHEMBL3329501

SCHEMBL3329501

COC(=O)/C=C/c1cc(-c2nnn(CCC(=O)OC)n2)c(Cc2ccccc2)s1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 5/20 0.44
GAA P10253 3/20 0.44
TP53 P04637 3/20 0.44
MAPK1 P28482 1/20 0.39
CNR2 P34972 1/20 0.38
ALDH1A1 P00352 5/20 0.37
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
APOBEC3G Q9HC16 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
SCHEMBL3329506 1.00 TSHR (0.47) TSHRHPGDHSD17B10MAPTGAA
SCHEMBL4750782 0.94 TSHR (0.48) TSHRHPGDHSD17B10MAPTGAA
SCHEMBL3329504 0.87 MAPK8 (0.39) TSHRHPGDMAPTGAATP53
SCHEMBL3328536 0.83 ALDH1A1 (0.46) MAPTGAATP53MAPK1ALDH1A1
SCHEMBL3328544 0.83 ALDH1A1 (0.46) MAPTGAATP53MAPK1ALDH1A1
SCHEMBL3328122 0.81 KDM4E (0.32) HPGDMAPTGAATP53CNR2
SCHEMBL3328126 0.81 KDM4E (0.32) HPGDMAPTGAATP53CNR2
SCHEMBL3329462 0.78 NPSR1 (0.39) TSHRHPGDHSD17B10MAPTGAA
SCHEMBL3329466 0.78 NPSR1 (0.39) TSHRHPGDHSD17B10MAPTGAA
SCHEMBL3327731 0.77 ESR1 (0.38) TSHRGAAALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof DENOVAMED INC. (CA) 2010-06-03 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-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof NAT1, NAPEPLD, NR1I2 TSHR 1153/4885HPGD 690/4885HSD17B10 926/4885

“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.