SCHEMBL15840594

SCHEMBL15840594

O=C(CCc1ccco1)NC(=S)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.63
LMNA P02545 5/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
GPR55 Q9Y2T6 2/20 0.60
NPSR1 Q6W5P4 2/20 0.54
RAB9A P51151 1/20 0.54
PAX8 Q06710 1/20 0.54
PPARG P37231 2/20 0.52
MAPT P10636 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL15840617 0.84 GPR55 (0.66) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL15840505 0.79 GPR55 (0.65) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL25132370 0.79 ALDH1A1 (0.71) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL15840638 0.77 ALDH1A1 (0.68) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL15840535 0.77 GPR55 (0.67) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL12470464 0.76 ALDH1A1 (0.69) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL15840555 0.75 RAB9A (0.71) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL15840506 0.74 ALDH1A1 (0.64) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL9771208 0.72 ALDH1A1 (0.57) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL15840671 0.72 LMNA (0.68) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2

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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-26 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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 ALDH1A1 4348/4885LMNA 2183/4885MEN1 3121/4885

“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.