Sugi Predict

Sugi Predict / Compounds / SCHEMBL3788282

SCHEMBL3788282

SCHEMBL3788282

N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cn3)s2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 2/20 0.49
▸ UBE2T Q9NPD8 2/20 0.45
▸ NNMT P40261 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ P4HA1 P13674 1/20 0.39
▸ P4HTM Q9NXG6 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MASP2 O00187 1/20 0.39
▸ PLAU P00749 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ HPGDS O60760 2/20 0.38
▸ F2 P00734 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ PRSS3 P35030 1/20 0.38
▸ GABRP O00591 1/20 0.37
▸ GABRD O14764 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRG2 P18507 1/20 0.37

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
Hydrochloric Acid SCHEMBL3788110 0.98 NQO2 (0.47) NQO2UBE2TNNMTSMN1; SMN2P4HA1
SCHEMBL14507287 0.98 NQO2 (0.47) NQO2UBE2TNNMTSMN1; SMN2P4HA1
SCHEMBL14433307 0.92 NQO2 (0.63) NQO2UBE2T
SCHEMBL28344110 0.86 P4HA1 (0.52) UBE2TP4HA1P4HTMLMNAMASP2
SCHEMBL8975475 0.77 WDR5 (0.53) NQO2UBE2TLMNAMASP2PLAU
SCHEMBL14433310 0.76 NQO2 (0.53) NQO2UBE2TP4HA1P4HTMPLAU
SCHEMBL8975609 0.76 RXFP1 (0.49) NQO2UBE2TP4HA1P4HTMLMNA
SCHEMBL3505298 0.74 NQO2 (0.52) NQO2UBE2TPLAUF2PRSS1
SCHEMBL20428452 0.73 KDM1A (0.46) NQO2UBE2TSMN1; SMN2
SCHEMBL5487186 0.72 NQO2 (0.41) NQO2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331368-A1 2,5-DIARYL SELENOPHENE COMPOUNDS, AZA 2,5-DIARYL THIOPHENE COMPOUNDS, AND THEIR PRODRUGS AS ANTIPROTOZOAL AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL, THE 2010-12-30 — — US claimed
WO-2009051796-A2 2,5-DIARYL SELENOPHENE COMPOUNDS, AZA 2,5-DIARYL THIOPHENE COMPOUNDS, AND THEIR PRODRUGS AS ANTIPROTOZOAL AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2009-04-23 — — WO claimed
US-20100331368-A1 2,5-DIARYL SELENOPHENE COMPOUNDS, AZA 2,5-DIARYL THIOPHENE COMPOUNDS, AND THEIR PRODRUGS AS ANTIPROTOZOAL AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL, THE 2010-12-30 — — US disclosed
WO-2009051796-A2 2,5-DIARYL SELENOPHENE COMPOUNDS, AZA 2,5-DIARYL THIOPHENE COMPOUNDS, AND THEIR PRODRUGS AS ANTIPROTOZOAL AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2009-04-23 — — 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-20100331368-A1 2,5-DIARYL SELENOPHENE COMPOUNDS, AZA 2,5-DIARYL THIOPHENE COMPOUNDS, AND THEIR PRODRUGS AS ANTIPROTOZOAL AGENTS SELENOI, SCLY, GPX4 NQO2 973/4885UBE2T 2586/4885NNMT 495/4885

“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.