Sugi Predict

Sugi Predict / Compounds / SCHEMBL3753084

SCHEMBL3753084

SCHEMBL3753084

Fc1ccccc1-n1nnc(-c2nc(-c3cccc(Cn4cncn4)c3)no2)c1-c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.41
▸ S1PR1 P21453 1/20 0.39
▸ GRM5 P41594 6/20 0.37
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ TP53 P04637 4/20 0.35
▸ MAPT P10636 5/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ STS P08842 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ PKM P14618 1/20 0.33

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
SCHEMBL3755692 0.90 S1PR1 (0.47) CYP19A1S1PR1MAOAMAOBTP53
SCHEMBL10181583 0.89 TP53 (0.38) S1PR1GRM5TP53MAPTRXFP1
SCHEMBL20405760 0.84 CYP19A1 (0.39) CYP19A1S1PR1MAOAMAOBTP53
SCHEMBL10179370 0.82 CYP19A1 (0.42) CYP19A1S1PR1TP53MAPTRXFP1
SCHEMBL10181574 0.81 TP53 (0.47) GRM5TP53MAPTNPC1MITF
SCHEMBL3751141 0.81 MAOA (0.47) CYP19A1S1PR1MAOAMAOBTP53
SCHEMBL3764576 0.80 RAB9A (0.49) S1PR1GRM5TP53MAPTNPC1
SCHEMBL10182667 0.79 S1PR1 (0.47) S1PR1TP53MAPTRXFP1NPC1
SCHEMBL3761562 0.79 NPC1 (0.56) S1PR1GRM5TP53MAPTNPC1
SCHEMBL3762524 0.78 S1PR1 (0.59) S1PR1GRM5MAOATP53MAPT

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 CYP19A1 1163/4885S1PR1 517/4885GRM5 1824/4885

“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.