SCHEMBL3456129

SCHEMBL3456129

O=C(O)NCc1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.47
POLB P06746 5/20 0.41
TP53 P04637 4/20 0.40
ROCK2 O75116 1/20 0.40
GRK2 P25098 1/20 0.40
MAPT P10636 3/20 0.40
MAOA P21397 1/20 0.39
BLVRB P30043 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
LMNA P02545 1/20 0.38
HPGDS O60760 1/20 0.38
CARM1 Q86X55 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL3753015 0.91 POLB (0.45) S1PR1POLBTP53ROCK2GRK2
SCHEMBL27828944 0.89 S1PR1 (0.45) S1PR1POLBTP53NPC1RAB9A
SCHEMBL10179080 0.88 S1PR1 (0.49) S1PR1POLBTP53MAPTKMT2A
SCHEMBL3757116 0.87 S1PR1 (0.49) S1PR1POLBTP53MAPTMAOA
Formic Acid SCHEMBL3764768 0.87 S1PR1 (0.48) S1PR1POLBTP53MAPTKMT2A
SCHEMBL10179942 0.87 S1PR1 (0.45) S1PR1POLBTP53MAPTKMT2A
Formic Acid SCHEMBL3751206 0.86 S1PR1 (0.45) S1PR1POLBTP53MAPTKMT2A
SCHEMBL10179798 0.86 S1PR1 (0.49) S1PR1POLBTP53MAPTKMT2A
SCHEMBL10181611 0.86 S1PR1 (0.51) S1PR1POLBTP53MAPTKMT2A
SCHEMBL27828945 0.86 S1PR1 (0.45) S1PR1POLBTP53MAPTMAOA

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 5 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
EP-2250165-A1 TRIAZOLE OXADIAZOLES DERIVATIVES Merck Serono S.A. (CH) 2010-11-17 EP disclosed
WO-2009080663-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO S.A. (CH) 2009-07-02 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-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES OXA1L, RO60, PDCD11 S1PR1 517/4885POLB 2012/4885TP53 2220/4885

“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.