SCHEMBL6412252

SCHEMBL6412252

Cc1ccc(OCc2nnc(SCC#N)n2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.56
NPSR1 Q6W5P4 3/20 0.56
TSHR P16473 2/20 0.54
POLB P06746 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 4/20 0.52
LMNA P02545 2/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48

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
SCHEMBL6406142 0.74 CYP1A2 (0.67) NPSR1TSHRPOLBCYP1A2CYP3A4
SCHEMBL6407491 0.72 PKM (0.60) PKMTSHRPOLBCYP1A2CYP3A4
SCHEMBL6405023 0.68 LMNA (0.65) PKMTSHRCYP1A2CYP2C19ALDH1A1
SCHEMBL4204174 0.67 ALDH1A1 (0.72) NPSR1TSHRPOLBCYP3A4ALDH1A1
SCHEMBL6410268 0.67 CYP1A2 (0.87) NPSR1TSHRPOLBCYP1A2CYP3A4
SCHEMBL19334382 0.65 KMT2A (0.67) PKMTSHRPOLBKDM4EALDH1A1
SCHEMBL6412028 0.65 GAA (0.80) NPSR1TSHRPOLBALDH1A1LMNA
SCHEMBL4214358 0.65 LMNA (0.71) NPSR1TSHRPOLBCYP1A2CYP3A4
SCHEMBL4202658 0.63 LMNA (0.59) PKMTSHRKDM4EALDH1A1LMNA
SCHEMBL1544724 0.63 NPC1 (0.64) NPSR1TSHRPOLBKDM4EALDH1A1

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 PKM 2155/4885NPSR1 4536/4885TSHR 3470/4885

“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.