SCHEMBL3758661

SCHEMBL3758661

Fc1ccc(F)c(-c2noc(-c3nnn(-c4ccccc4F)c3C3CCCO3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.55
S1PR1 P21453 10/20 0.44
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL3751207 0.92 TP53 (0.52) TP53S1PR1MAPTLMNASMN1; SMN2
SCHEMBL3748532 0.88 TP53 (0.58) TP53S1PR1MAPTRXFP1
SCHEMBL3756749 0.88 TP53 (0.60) TP53S1PR1MAPTSMN1; SMN2RXFP1
SCHEMBL10179153 0.86 TP53 (0.56) TP53S1PR1MAPTRXFP1
SCHEMBL10179481 0.86 MAPT (0.45) TP53S1PR1MAPTLMNASMN1; SMN2
SCHEMBL3754505 0.83 NPC1 (0.45) TP53S1PR1MAPTLMNASMN1; SMN2
SCHEMBL10180293 0.83 GRM5 (0.40) TP53MAPTLMNASMN1; SMN2
SCHEMBL10179311 0.81 CHRNB2 (0.42) TP53MAPTSMN1; SMN2
SCHEMBL9928667 0.80 TP53 (0.84) TP53S1PR1MAPTSMN1; SMN2RXFP1
SCHEMBL3755998 0.79 TP53 (0.55) TP53S1PR1LMNASMN1; SMN2

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 TP53 2220/4885S1PR1 517/4885MAPT 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.