Sugi Predict

Sugi Predict / Compounds / SCHEMBL3751149

SCHEMBL3751149

SCHEMBL3751149

Fc1ccccc1-n1nnc(-c2nc(-c3ccc(CN4CCOCC4)cc3)no2)c1-c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.43
▸ KCNH2 Q12809 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ S1PR1 P21453 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HDAC4 P56524 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAPK13 O15264 1/20 0.38

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
SCHEMBL3756948 0.93 S1PR1 (0.45) KCNH2ALDH1A1CASP1CASP7NPC1
SCHEMBL27962933 0.92 ALDH1A1 (0.41) KCNH2ALDH1A1CASP1CASP7NPC1
SCHEMBL3757179 0.91 S1PR1 (0.45) ALOX5KCNH2ALDH1A1CASP1CASP7
SCHEMBL27847628 0.91 NPC1 (0.39) ALDH1A1CASP1CASP7NPC1RAB9A
SCHEMBL10179521 0.90 ALDH1A1 (0.40) KCNH2ALDH1A1CASP1CASP7NPC1
SCHEMBL20405985 0.90 KCNH2 (0.42) ALOX5KCNH2ALDH1A1NPC1RAB9A
SCHEMBL10181543 0.89 RAB9A (0.43) ALDH1A1CASP1CASP7NPC1RAB9A
SCHEMBL3750984 0.89 S1PR1 (0.41) KCNH2ALDH1A1CASP1CASP7NPC1
SCHEMBL10181875 0.89 MAPT (0.40) ALDH1A1CASP1CASP7NPC1RAB9A
SCHEMBL10181539 0.88 S1PR1 (0.40) ALDH1A1CASP1CASP7NPC1RAB9A

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 ALOX5 3294/4885KCNH2 1287/4885ALDH1A1 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.