SCHEMBL6406930

SCHEMBL6406930

Cc1nnc(SCc2ccccc2C#N)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
ALOX15 P16050 1/20 0.51
ATM Q13315 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CTSB P07858 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
CNR2 P34972 3/20 0.47
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
CNR1 P21554 1/20 0.44
HSD11B1 P28845 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43

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) ALDH1A1ALOX15ATMHSD17B10CTSB
SCHEMBL6403885 0.76 SMN1; SMN2 (0.45) ALDH1A1ALOX15ATMHSD17B10CTSB
SCHEMBL6405499 0.76 ALDH1A1 (0.46) ALDH1A1ALOX15ATMHSD17B10CTSB
SCHEMBL6408244 0.75 POLB (0.60) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL6407138 0.75 RAB9A (0.46) ALDH1A1CTSBSMN1; SMN2TP53HPGD
SCHEMBL5484015 0.74 ALDH1A1 (0.64) ALDH1A1CTSBSMN1; SMN2HPGDMEN1
SCHEMBL6408107 0.73 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2TP53MEN1KMT2A
SCHEMBL13462071 0.71 SMN1; SMN2 (0.59) ALDH1A1ALOX15ATMHSD17B10SMN1; SMN2
SCHEMBL515046 0.69 ALDH1A1 (0.49) ALDH1A1ALOX15ATMHSD17B10CTSB
SCHEMBL9693032 0.69 HPGD (0.57) ALDH1A1CTSBSMN1; SMN2HPGDMEN1

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 720/4885ALOX15 2151/4885ATM 2544/4885

“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.