SCHEMBL6405499

SCHEMBL6405499

N#Cc1ccccc1CSc1nnc(-c2cccs2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
CTSB P07858 1/20 0.45
HPGD P15428 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
CNR2 P34972 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
ALOX15 P16050 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 2/20 0.39
CNR1 P21554 1/20 0.39
USP2 O75604 1/20 0.39
PRNP P04156 1/20 0.39

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
SCHEMBL6408473 0.81 SMN1; SMN2 (0.55) ALDH1A1CTSBHPGDMEN1KMT2A
SCHEMBL6410721 0.78 BCAT1 (0.40) ALDH1A1CTSBHPGDMEN1KMT2A
SCHEMBL6429452 0.77 CTSB (0.47) ALDH1A1CTSBHPGDMEN1KMT2A
SCHEMBL6406930 0.76 ALDH1A1 (0.53) ALDH1A1CTSBHPGDMEN1KMT2A
SCHEMBL6407138 0.75 RAB9A (0.46) ALDH1A1CTSBHPGDMEN1KMT2A
SCHEMBL6403770 0.75 SMN1; SMN2 (0.44) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL6403885 0.74 SMN1; SMN2 (0.45) ALDH1A1CTSBHPGDMEN1KMT2A
SCHEMBL6409758 0.73 SMN1; SMN2 (0.56) ALDH1A1CTSBHPGDMEN1KMT2A
SCHEMBL6404584 0.72 RAB9A (0.48) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL6403484 0.71 ADORA3 (0.41) ALDH1A1HPGDMEN1KMT2ANPC1

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 ALDH1A1 720/4885CTSB 872/4885HPGD 835/4885

“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.