SCHEMBL6405342

SCHEMBL6405342

O=C(NCCSc1nnc(-c2ccccc2)[nH]1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 11/20 0.56
RAB9A P51151 10/20 0.56
NPC1 O15118 9/20 0.56
RECQL P46063 1/20 0.56
ALDH1A1 P00352 8/20 0.50
HPGD P15428 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 1/20 0.45

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
SCHEMBL6408592 0.83 NPC1 (0.49) SMN1; SMN2RAB9ANPC1RECQLALDH1A1
SCHEMBL5471185 0.78 PTGES (0.64) SMN1; SMN2RAB9ANPC1RECQLHPGD
SCHEMBL23527338 0.77 PTGES (0.59) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL6404441 0.76 ALPL (0.53) SMN1; SMN2RAB9ANPC1RECQLALDH1A1
SCHEMBL14907754 0.72 GRK6 (0.56) RAB9ANPC1ALDH1A1CYP1A2CYP3A4
SCHEMBL5444999 0.72 PTGES (0.57) SMN1; SMN2RAB9ANPC1RECQLHPGD
SCHEMBL17212986 0.72 CFD (0.55) SMN1; SMN2ALDH1A1PPARGGAAPOLB
SCHEMBL23527345 0.72 PTGES (0.53) SMN1; SMN2RAB9ANPC1RECQLALDH1A1
SCHEMBL15986161 0.71 KMT2A (0.65) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL5435964 0.71 PTGES (0.55) SMN1; SMN2RAB9ANPC1RECQLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT SMN1; SMN2 4793/4885RAB9A 4278/4885NPC1 2070/4885

“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.