SCHEMBL3753630

SCHEMBL3753630

CCc1c(-c2nc(-c3ccccc3OC)no2)nnn1-c1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 10/20 0.58
SMN1; SMN2 Q16637 6/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KCNN4 O15554 1/20 0.47
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 4/20 0.45
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
TSHR P16473 3/20 0.45
S1PR1 P21453 2/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL3750764 0.91 TP53 (0.52) TP53SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3752697 0.91 TP53 (0.70) TP53SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL3751123 0.86 TP53 (0.64) TP53SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL3753002 0.84 MAPT (0.55) TP53SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3766280 0.84 TP53 (0.57) TP53SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3761396 0.83 TP53 (0.60) TP53SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3755883 0.82 TP53 (0.58) TP53SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13765636 0.81 TP53 (0.53) TP53SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3756891 0.81 TP53 (0.59) TP53SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3755967 0.81 TP53 (0.54) TP53SMN1; SMN2NPC1RAB9AALDH1A1

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 2220/4885SMN1; 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.