SCHEMBL3752826

SCHEMBL3752826

CCc1c(-c2nc(-c3cccc(C(F)(F)F)c3)no2)nnn1-c1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
TP53 P04637 5/20 0.50
NR1H4 Q96RI1 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
S1PR1 P21453 2/20 0.43
ALOX15 P16050 1/20 0.43
S1PR5 Q9H228 1/20 0.43
CASP3 P42574 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
POLB P06746 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL3753002 0.87 MAPT (0.55) MAPTTP53NR1H4ALDH1A1SMN1; SMN2
SCHEMBL3761171 0.85 MAPT (0.54) MAPTTP53NR1H4NPSR1KDM4E
SCHEMBL3758553 0.85 ALDH1A1 (0.46) MAPTTP53NR1H4NPSR1KDM4E
SCHEMBL20405677 0.85 MAPT (0.45) MAPTTP53NR1H4NPSR1KDM4E
SCHEMBL3755472 0.82 NPC1 (0.56) MAPTTP53NR1H4NPSR1KDM4E
SCHEMBL13765636 0.82 TP53 (0.53) MAPTTP53NPSR1ALDH1A1SMN1; SMN2
SCHEMBL3752697 0.81 TP53 (0.70) MAPTTP53GAASMN1; SMN2NPC1
SCHEMBL10182789 0.80 MAPT (0.41) MAPTTP53NPSR1ALDH1A1GAA
SCHEMBL3751123 0.79 TP53 (0.64) MAPTTP53GAASMN1; SMN2NPC1
SCHEMBL3755950 0.77 MAPT (0.49) MAPTTP53NR1H4NPSR1ALDH1A1

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 MAPT 2478/4885TP53 2220/4885NR1H4 1112/4885

“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.