SCHEMBL10179481

SCHEMBL10179481

Fc1ccccc1-n1nnc(-c2nc(-c3ccccc3)no2)c1C1CCCO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
PKM P14618 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 5/20 0.41
ALDH1A1 P00352 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
S1PR1 P21453 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 1/20 0.38
HDAC1 Q13547 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
SCHEMBL3754505 0.93 NPC1 (0.45) MAPTSMN1; SMN2NPC1PKMRAB9A
SCHEMBL10179311 0.91 CHRNB2 (0.42) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL3751207 0.90 TP53 (0.52) MAPTSMN1; SMN2NPC1PKMRAB9A
SCHEMBL10181575 0.87 MAPT (0.47) MAPTSMN1; SMN2NPC1PKMRAB9A
SCHEMBL10180293 0.87 GRM5 (0.40) MAPTSMN1; SMN2NPC1PKMRAB9A
SCHEMBL3758661 0.86 TP53 (0.55) MAPTSMN1; SMN2TP53S1PR1RXFP1
SCHEMBL3758094 0.80 NPC1 (0.47) MAPTSMN1; SMN2NPC1PKMRAB9A
SCHEMBL20405914 0.80 TP53 (0.33) MAPTTP53RXFP1
SCHEMBL20406037 0.79 NPC1 (0.43) MAPTSMN1; SMN2NPC1PKMRAB9A
SCHEMBL3766906 0.78 MAPT (0.53) MAPTSMN1; SMN2NPC1PKMRAB9A

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 MAPT 2478/4885SMN1; SMN2 1889/4885NPC1 4730/4885

“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.