SCHEMBL3760882

SCHEMBL3760882

Cc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.51
RAB9A P51151 9/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
NFKB1 P19838 3/20 0.50
NFKB2 Q00653 3/20 0.50
RELA Q04206 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PKM P14618 1/20 0.48
S1PR1 P21453 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 5/20 0.46
MAPT P10636 6/20 0.46
ALDH1A1 P00352 1/20 0.45
RXFP1 Q9HBX9 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL3761084 0.94 NPC1 (0.54) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL3755430 0.92 NPC1 (0.50) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL3760855 0.92 NPC1 (0.52) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL3756893 0.90 NPC1 (0.48) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL27962957 0.90 NPC1 (0.48) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL3752775 0.89 S1PR1 (0.54) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL10181833 0.89 MAPT (0.54) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL3478080 0.89 NPC1 (0.54) NPC1RAB9AKMT2ASMN1; SMN2NFKB1
SCHEMBL10182717 0.89 S1PR1 (0.49) NPC1RAB9AKMT2APKMS1PR1
SCHEMBL3756298 0.89 NPC1 (0.47) NPC1RAB9AKMT2ASMN1; SMN2NFKB1

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 9 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
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-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
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 US 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 NPC1 4730/4885RAB9A 2114/4885KMT2A 2565/4885

“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.