SCHEMBL6403885

SCHEMBL6403885

COc1ccc(-c2nnc(SCc3ccccc3C#N)[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.45
ALDH1A1 P00352 6/20 0.45
TP53 P04637 1/20 0.45
CXCR2 P25025 1/20 0.45
CTSB P07858 1/20 0.43
MEN1 O00255 5/20 0.43
HPGD P15428 5/20 0.43
KMT2A Q03164 5/20 0.43
POLB P06746 1/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 3/20 0.42
NFKB1 P19838 1/20 0.42
CASP3 P42574 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42

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 0.87 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1TP53CTSBMEN1
SCHEMBL6407138 0.78 RAB9A (0.46) SMN1; SMN2ALDH1A1TP53CTSBMEN1
SCHEMBL6404879 0.78 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1TP53MEN1HPGD
SCHEMBL6406930 0.76 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1TP53CTSBMEN1
SCHEMBL6015609 0.75 RAB9A (0.57) SMN1; SMN2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL6405499 0.74 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1TP53CTSBMEN1
SCHEMBL6405373 0.73 GSK3A (0.50) SMN1; SMN2ALDH1A1TP53CTSBMEN1
SCHEMBL6408940 0.72 NPC1 (0.58) SMN1; SMN2ALDH1A1TP53CTSBMEN1
SCHEMBL6408555 0.71 CYP2D6 (0.45) SMN1; SMN2ALDH1A1TP53CTSBMEN1
SCHEMBL6407548 0.70 CYP2C9 (0.52) ALDH1A1RAB9AMAPTKDM4ENPC1

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 4793/4885ALDH1A1 720/4885TP53 1524/4885

“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.