Sugi Predict

Sugi Predict / Compounds / SCHEMBL3766405

SCHEMBL3766405

SCHEMBL3766405

Fc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2-c2cccnc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 7/20 0.53
▸ POLB P06746 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ MAPT P10636 3/20 0.45
▸ TSHR P16473 2/20 0.45
▸ SMN1; SMN2 Q16637 6/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ HPGD P15428 4/20 0.43
▸ AHR P35869 1/20 0.43
▸ PKM P14618 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CHRNB2 P17787 2/20 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
SCHEMBL3766895 0.91 TP53 (0.56) TP53POLBALDH1A1MAPTTSHR
SCHEMBL3754671 0.89 TP53 (0.59) TP53ALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL3751170 0.89 TP53 (0.56) TP53ALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL3753060 0.88 S1PR1 (0.49) TP53POLBALDH1A1MAPTTSHR
SCHEMBL3755960 0.82 TP53 (0.48) TP53ALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL3766906 0.81 MAPT (0.53) TP53ALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL3762743 0.81 TP53 (0.55) TP53POLBALDH1A1MAPTTSHR
SCHEMBL3760855 0.81 NPC1 (0.52) TP53POLBALDH1A1MAPTTSHR
SCHEMBL3766956 0.81 TP53 (0.58) TP53ALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL3761084 0.81 NPC1 (0.54) TP53POLBALDH1A1MAPTTSHR

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 2220/4885POLB 2012/4885ALDH1A1 466/4885

“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.