SCHEMBL6402417

SCHEMBL6402417

O=C1c2ccccc2C(=O)N1CCSc1nnc(-c2ccccc2)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
CASP3 P42574 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
CYP1A2 P05177 2/20 0.48
GAA P10253 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 2/20 0.44
POLB P06746 3/20 0.44

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
SCHEMBL6407079 0.86 L3MBTL1 (0.47) L3MBTL1NPC1RAB9ACASP3SMN1; SMN2
SCHEMBL6410340 0.82 L3MBTL1 (0.50) L3MBTL1NPC1RAB9ACASP3SMN1; SMN2
SCHEMBL9676130 0.77 KDM4E (0.54) L3MBTL1NPC1RAB9ACASP3SMN1; SMN2
SCHEMBL6404737 0.76 TNKS (0.46) RAB9ACYP1A2ALDH1A1HPGDKDM4E
SCHEMBL6404441 0.74 ALPL (0.53) L3MBTL1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL10421957 0.72 RAB9A (1.00) L3MBTL1NPC1RAB9ACASP3SMN1; SMN2
SCHEMBL6406096 0.72 RAB9A (0.52) L3MBTL1NPC1RAB9ACYP1A2ALDH1A1
SCHEMBL9674609 0.70 CYP1A2 (0.54) CYP1A2ALDH1A1KDM4ECYP2D6CYP2C19
SCHEMBL14736166 0.69 TSHR (0.47) L3MBTL1CASP3SMN1; SMN2MEN1KMT2A
SCHEMBL9674209 0.69 ACAT1 (0.58) ALDH1A1KDM4E

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 L3MBTL1 2749/4885NPC1 2070/4885RAB9A 4278/4885

“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.