SCHEMBL6403249

SCHEMBL6403249

Cc1cccc(-c2nnc(SCC(=O)OCc3ccccc3)n2-c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.57
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 5/20 0.55
NPSR1 Q6W5P4 2/20 0.55
TP53 P04637 1/20 0.55
TSHR P16473 3/20 0.54
HPGD P15428 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HSD17B10 Q99714 2/20 0.54
PKM P14618 1/20 0.54
USP2 O75604 1/20 0.54
LMNA P02545 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53

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
SCHEMBL6404294 0.92 MEN1 (0.53) MAPK1MAPTALDH1A1TP53TSHR
SCHEMBL6404213 0.91 MEN1 (0.62) MAPTALDH1A1TP53TSHRHPGD
SCHEMBL14478938 0.90 ALDH1A1 (0.66) MAPK1MAPTKDM4EALDH1A1NPSR1
SCHEMBL6403434 0.90 ALDH1A1 (0.63) MAPK1MAPTALDH1A1NPSR1TP53
SCHEMBL6403651 0.90 CYP1A2 (0.61) MAPTALDH1A1TSHRHPGDMEN1
SCHEMBL6404543 0.89 MAPT (0.64) MAPK1MAPTALDH1A1TP53TSHR
SCHEMBL6404742 0.88 LMNA (0.58) MAPK1MAPTALDH1A1NPSR1TP53
SCHEMBL6405039 0.86 TSHR (0.63) ALDH1A1NPSR1TP53TSHRHPGD
SCHEMBL6410539 0.86 ALDH1A1 (0.60) MAPTKDM4EALDH1A1NPSR1TSHR
SCHEMBL6409643 0.86 TP53 (0.65) MAPK1MAPTALDH1A1TP53TSHR

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 MAPK1 4613/4885MAPT 2111/4885KDM4E 3676/4885

“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.