SCHEMBL10179407

SCHEMBL10179407

CC(=O)N1CCC(c2c(-c3nc(-c4ccccc4F)no3)nnn2-c2ccccc2F)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.52
POLB P06746 1/20 0.39
DPP4 P27487 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAP4K1 Q92918 1/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR2 P34972 1/20 0.36
PLAT P00750 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
SCHEMBL10181250 0.91 TP53 (0.50) TP53POLBDPP4DPP7NPC1
SCHEMBL3763721 0.88 TP53 (0.57) TP53POLBNPC1RAB9AGAA
SCHEMBL10181241 0.86 TP53 (0.53) TP53POLBDPP4DPP7NPC1
SCHEMBL3755998 0.86 TP53 (0.55) TP53POLBNPC1RAB9ATSHR
SCHEMBL3758569 0.84 TP53 (0.53) TP53POLBNPC1RAB9AGAA
SCHEMBL3756749 0.79 TP53 (0.60) TP53NPC1RAB9AGAASMN1; SMN2
SCHEMBL3751207 0.79 TP53 (0.52) TP53POLBNPC1RAB9ALMNA
SCHEMBL10179764 0.79 TP53 (0.49) TP53POLBDPP4DPP7NPC1
SCHEMBL3748532 0.78 TP53 (0.58) TP53
SCHEMBL13765446 0.77 TP53 (0.52) TP53NPC1RAB9AGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 US disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 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-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES OXA1L, RO60, PDCD11 TP53 2220/4885POLB 2012/4885DPP4 2346/4885

“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.