SCHEMBL6408375

SCHEMBL6408375

CCn1c(S)nnc1-c1cc2ccccc2cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.56
MAPT P10636 7/20 0.56
HPGD P15428 5/20 0.56
KDM4E B2RXH2 4/20 0.56
GLA P06280 3/20 0.56
LMNA P02545 8/20 0.54
HTT P42858 4/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
RGS12 O14924 1/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HSD17B10 Q99714 4/20 0.49
GAA P10253 4/20 0.49
FPR1 P21462 1/20 0.46

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
SCHEMBL6406218 0.82 TSHR (0.56) ALDH1A1MAPTHPGDKDM4EGLA
SCHEMBL6406516 0.82 ALDH1A1 (0.43) ALDH1A1MAPTHPGDKDM4EGLA
SCHEMBL931408 0.79 ESR1 (0.41) ALDH1A1LMNAHTTCYP1A2CYP3A4
SCHEMBL6403612 0.78 ALDH1A1 (0.61) ALDH1A1MAPTHPGDKDM4EGLA
SCHEMBL19549093 0.76 SMN1; SMN2 (0.39) ALDH1A1MAPTHPGDKDM4ELMNA
SCHEMBL929707 0.75 ALDH1A1 (0.47) ALDH1A1MAPTHPGDKDM4EGLA
SCHEMBL19549118 0.74 HSD11B1 (0.54) ALDH1A1MAPTHPGDKDM4EGLA
SCHEMBL19549077 0.74 HSD11B1 (0.41) ALDH1A1MAPTKDM4ETDP1HSD17B10
SCHEMBL2988338 0.73 TSHR (0.56) ALDH1A1MAPTHPGDKDM4ELMNA
SCHEMBL6015587 0.72 ALDH1A1 (0.60) ALDH1A1MAPTHPGDKDM4EGLA

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 720/4885MAPT 2111/4885HPGD 835/4885

“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.