SCHEMBL6407016

SCHEMBL6407016

Cn1c(S)nnc1-c1ccc(NC(=O)c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 6/20 0.63
▸ PTPN1 P18031 5/20 0.56
▸ TDP1 Q9NUW8 1/20 0.55
▸ RAB9A P51151 3/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ NFKB1 P19838 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ PTPN2 P17706 1/20 0.49
▸ CACNA1B Q00975 1/20 0.49
▸ APBA1 Q02410 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL11588544 0.77 HSD11B1 (0.48) RAB9ANPC1MAPTSMN1; SMN2L3MBTL1
SCHEMBL392717 0.76 HSD11B1 (0.53) RAB9ANPC1L3MBTL1
SCHEMBL18085798 0.74 PTPN1 (1.00) PTPN1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL23484358 0.74 NPC1 (0.89) PTPN1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL10136221 0.73 PTPN1 (0.96) PTPN1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL14160276 0.73 PTPN1 (0.96) PTPN1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL17725101 0.73 HSD11B1 (0.49) SMN1; SMN2
SCHEMBL20828342 0.73 DGAT1 (0.58) DGAT1TDP1
SCHEMBL126415 0.72 PTPN1 (0.87) PTPN1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL11588798 0.72 KMO (0.47) TDP1RAB9ANPC1MAPTSMN1; SMN2

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-2850068-B1 N-(phenyl)-2-[[3-(phenyl)-1H-1,2,4-triazol-5-yl]thio]-acetamide derivatives and related compounds as G protein coupled receptor 17 (GPCR17) modulators for use in the treatment of neuro-degenerative diseases UNIV DEGLI STUDI MILANO (IT) 2019-05-29 — — EP disclosed
US-9879030-B2 GPR17 receptor modulators UNIVERSITA′ DEGLI STUDI DI MILANO (IT) 2018-01-30 — — US disclosed
US-9879030-B2 GPR17 receptor modulators UNIVERSITA′ DEGLI STUDI DI MILANO (IT) 2018-01-30 — — US disclosed
US-9879030-B2 GPR17 receptor modulators UNIVERSITA′ DEGLI STUDI DI MILANO (IT) 2018-01-30 — — US disclosed
US-20150141410-A1 GPR17 Receptor Modulators UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2015-05-21 — — US disclosed
US-20150141410-A1 GPR17 Receptor Modulators UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2015-05-21 — — US disclosed
US-20150141410-A1 GPR17 Receptor Modulators UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2015-05-21 — — US disclosed
WO-2013167177-A1 GPR17 RECEPTOR MODULATORS. UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2013-11-14 — — WO disclosed
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 — — US 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 (2 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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT DGAT1 1274/4885PTPN1 3481/4885TDP1 288/4885
US-20150141410-A1 GPR17 Receptor Modulators GPR65, GPR27, GPR17 DGAT1 704/4885PTPN1 3532/4885TDP1 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.

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