SCHEMBL3753015

SCHEMBL3753015

O=C(O)NCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.45
TP53 P04637 3/20 0.42
MAPT P10636 3/20 0.42
S1PR1 P21453 2/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ROCK2 O75116 2/20 0.40
GRK2 P25098 1/20 0.40
LMNA P02545 1/20 0.40
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RPS6KA5 O75582 1/20 0.38
MAP4K4 O95819 1/20 0.38

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
SCHEMBL3456129 0.91 S1PR1 (0.47) POLBTP53MAPTS1PR1NPC1
SCHEMBL3760878 0.89 S1PR1 (0.43) POLBTP53MAPTS1PR1NPC1
SCHEMBL10178939 0.88 CYP1A2 (0.42) POLBTP53S1PR1NPC1RAB9A
SCHEMBL3753778 0.88 POLB (0.42) POLBTP53MAPTS1PR1NPC1
SCHEMBL3761186 0.88 S1PR1 (0.44) POLBTP53MAPTS1PR1NPC1
SCHEMBL3761070 0.87 POLB (0.41) POLBTP53MAPTS1PR1NPC1
SCHEMBL10181855 0.87 S1PR1 (0.41) POLBTP53MAPTS1PR1NPC1
SCHEMBL3758945 0.87 NPC1 (0.46) POLBTP53MAPTS1PR1NPC1
SCHEMBL3756265 0.86 NPC1 (0.41) POLBTP53MAPTS1PR1NPC1
SCHEMBL10181536 0.86 S1PR1 (0.41) POLBTP53MAPTS1PR1NPC1

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
EP-2250165-B1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2018-07-25 EP 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

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 POLB 2012/4885TP53 2220/4885MAPT 2478/4885

“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.