SCHEMBL3764576

SCHEMBL3764576

Fc1ccccc1-n1nnc(-c2nc(-c3ccncc3)no2)c1-c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.49
SMN1; SMN2 Q16637 8/20 0.49
NPC1 O15118 7/20 0.49
TP53 P04637 7/20 0.49
PKM P14618 5/20 0.49
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 1/20 0.48
LMNA P02545 2/20 0.47
S1PR1 P21453 1/20 0.43
GRM5 P41594 2/20 0.41
MAPT P10636 4/20 0.41
HSD17B10 Q99714 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
TSHR P16473 4/20 0.39
POLB P06746 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL10181574 0.94 TP53 (0.47) RAB9ASMN1; SMN2NPC1TP53PKM
SCHEMBL3763939 0.92 TP53 (0.55) RAB9ASMN1; SMN2NPC1TP53PKM
SCHEMBL3761084 0.89 NPC1 (0.54) RAB9ASMN1; SMN2NPC1TP53PKM
SCHEMBL3762743 0.88 TP53 (0.55) RAB9ASMN1; SMN2NPC1TP53PKM
SCHEMBL3478260 0.88 NPC1 (0.53) RAB9ASMN1; SMN2NPC1TP53PKM
SCHEMBL3760855 0.87 NPC1 (0.52) RAB9ASMN1; SMN2NPC1TP53PKM
SCHEMBL3755430 0.85 NPC1 (0.50) RAB9ASMN1; SMN2NPC1TP53PKM
SCHEMBL3764705 0.84 S1PR1 (0.44) RAB9ASMN1; SMN2NPC1TP53PKM
SCHEMBL3760882 0.84 NPC1 (0.51) RAB9ASMN1; SMN2NPC1TP53PKM
SCHEMBL3756893 0.84 NPC1 (0.48) RAB9ASMN1; SMN2NPC1TP53PKM

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 RAB9A 2114/4885SMN1; 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.