Sugi Predict

Sugi Predict / Compounds / SCHEMBL3754505

SCHEMBL3754505

SCHEMBL3754505

Fc1ccccc1-n1nnc(-c2nc(-c3ccncc3)no2)c1C1CCCO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.45
▸ RAB9A P51151 5/20 0.45
▸ PKM P14618 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ TP53 P04637 4/20 0.39
▸ S1PR1 P21453 3/20 0.39
▸ MAPT P10636 5/20 0.39
▸ SMN1; SMN2 Q16637 6/20 0.39
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35

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
SCHEMBL10179481 0.93 MAPT (0.45) NPC1RAB9APKMKMT2ALMNA
SCHEMBL10179311 0.90 CHRNB2 (0.42) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL3751207 0.87 TP53 (0.52) NPC1RAB9APKMKMT2ALMNA
SCHEMBL3758094 0.87 NPC1 (0.47) NPC1RAB9APKMKMT2ALMNA
SCHEMBL20406037 0.86 NPC1 (0.43) NPC1RAB9APKMKMT2ALMNA
SCHEMBL10180293 0.86 GRM5 (0.40) NPC1RAB9APKMKMT2ALMNA
SCHEMBL3758661 0.83 TP53 (0.55) LMNATP53S1PR1MAPTSMN1; SMN2
SCHEMBL10181575 0.80 MAPT (0.47) NPC1RAB9APKMKMT2ATP53
SCHEMBL3761084 0.80 NPC1 (0.54) NPC1RAB9APKMKMT2ALMNA
SCHEMBL3760855 0.78 NPC1 (0.52) NPC1RAB9APKMKMT2ALMNA

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 NPC1 4730/4885RAB9A 2114/4885PKM 4116/4885

“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.