SCHEMBL6403612

SCHEMBL6403612

Oc1cc2ccccc2cc1-c1nnc(S)n1Cc1ccco1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.61
MAPT P10636 13/20 0.61
KDM4E B2RXH2 4/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
TSHR P16473 9/20 0.56
LMNA P02545 7/20 0.56
USP2 O75604 7/20 0.56
HSD17B10 Q99714 5/20 0.56
HTT P42858 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALOX15 P16050 1/20 0.56
NPSR1 Q6W5P4 2/20 0.55
POLB P06746 3/20 0.52
PKM P14618 1/20 0.52
GFER P55789 1/20 0.45
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
NPC1 O15118 2/20 0.39
MITF O75030 1/20 0.39

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
SCHEMBL6408375 0.78 ALDH1A1 (0.56) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL1545353 0.75 MAPT (0.41) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL6406516 0.74 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL19281531 0.73 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL5331687 0.73 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL1544375 0.73 ALDH1A1 (0.57) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL6406218 0.72 TSHR (0.56) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL1545274 0.72 TSHR (0.61) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL1544956 0.70 HSD17B10 (0.64) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL6405168 0.69 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EMEN1KMT2A

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 2111/4885KDM4E 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.