SCHEMBL2679401

SCHEMBL2679401

COc1c(C)sc(N)c1OC

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FHIT P49789 1/20 0.36
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL5154260 0.82 FHIT (0.35) FHITALDH1A1MAPTGAAHPGD
SCHEMBL12884245 0.80 ACHE (0.35) ALDH1A1SMN1; SMN2
SCHEMBL9368305 0.67 ACHE (0.31) ALDH1A1
SCHEMBL17340102 0.65
SCHEMBL24840942 0.62 CA2 (0.34)
SCHEMBL10721381 0.59
SCHEMBL7627662 0.59 ACHE (0.33) ALDH1A1SMN1; SMN2
SCHEMBL17339878 0.59
SCHEMBL6384362 0.57 ACHE (0.32)
SCHEMBL22927084 0.57 ACHE (0.32)

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-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-05-10 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-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 FHIT 4699/4885ALDH1A1 2872/4885MAPT 4648/4885

“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.