SCHEMBL10181583

SCHEMBL10181583

Fc1ccccc1-n1nnc(-c2nc(-c3cccc(Cn4cccn4)c3)no2)c1-c1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.38
GRM5 P41594 5/20 0.38
S1PR1 P21453 4/20 0.38
MAPT P10636 5/20 0.36
HTT P42858 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
NPC1 O15118 2/20 0.34
PKM P14618 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MITF O75030 1/20 0.34
TSHR P16473 1/20 0.34
PRKACA P17612 1/20 0.34
PRKACG P22612 1/20 0.34
PRKACB P22694 1/20 0.34
GRK6 P43250 1/20 0.33

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
SCHEMBL3753084 0.89 CYP19A1 (0.41) TP53GRM5S1PR1MAPTRXFP1
SCHEMBL10182667 0.89 S1PR1 (0.47) TP53S1PR1MAPTHTTRXFP1
SCHEMBL10181574 0.83 TP53 (0.47) TP53GRM5MAPTNPC1PKM
SCHEMBL3761562 0.80 NPC1 (0.56) TP53GRM5S1PR1MAPTNPC1
SCHEMBL3755993 0.79 S1PR1 (0.52) TP53S1PR1MAPTNPC1PKM
SCHEMBL10181580 0.79 S1PR1 (0.47) TP53S1PR1MAPTRXFP1NPC1
SCHEMBL3764576 0.79 RAB9A (0.49) TP53GRM5S1PR1MAPTHTT
SCHEMBL20405846 0.79 TP53 (0.42) TP53GRM5S1PR1MAPTRXFP1
SCHEMBL3762524 0.79 S1PR1 (0.59) TP53GRM5S1PR1MAPTRXFP1
SCHEMBL3755692 0.78 S1PR1 (0.47) TP53S1PR1MAPTRXFP1NPC1

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-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 TP53 2220/4885GRM5 1824/4885S1PR1 517/4885

“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.