SCHEMBL6410539

SCHEMBL6410539

Cc1cccc(-n2c(SCC(=O)OCc3ccccc3)nnc2-c2ccccc2O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.60
TSHR P16473 4/20 0.60
LMNA P02545 3/20 0.60
CPB1 P15086 1/20 0.54
CYP3A4 P08684 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
HSD17B10 Q99714 4/20 0.48
HPGD P15428 3/20 0.48
USP2 O75604 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PKM P14618 2/20 0.48
ALOX15 P16050 1/20 0.48
KDM4E B2RXH2 1/20 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
SCHEMBL6403249 0.86 MAPK1 (0.57) ALDH1A1TSHRLMNACYP3A4CYP2C19
SCHEMBL6407000 0.84 TSHR (0.57) ALDH1A1TSHRLMNACPB1NPSR1
SCHEMBL6404742 0.84 LMNA (0.58) ALDH1A1TSHRLMNACYP3A4CYP2C19
SCHEMBL6405988 0.83 ALDH1A1 (0.57) ALDH1A1TSHRLMNACYP3A4CYP2C19
SCHEMBL6404294 0.82 MEN1 (0.53) ALDH1A1TSHRLMNACYP3A4CYP2C19
SCHEMBL6405231 0.81 TSHR (0.68) ALDH1A1TSHRLMNACPB1MAPT
SCHEMBL6405743 0.80 CYP3A4 (0.69) ALDH1A1TSHRLMNACPB1CYP3A4
SCHEMBL6408888 0.80 CPB1 (0.78) ALDH1A1TSHRLMNACPB1HTT
SCHEMBL6404543 0.80 MAPT (0.64) ALDH1A1TSHRLMNACYP3A4CYP2C19
SCHEMBL6410767 0.80 KDM4E (0.55) ALDH1A1TSHRLMNACYP3A4CYP2C19

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 720/4885TSHR 3470/4885LMNA 4116/4885

“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.