SCHEMBL1765067

SCHEMBL1765067

O=C(O[C@H]1CCCc2ccccc21)c1csc(C2CCN(C(=O)Cn3nc(C(F)F)cc3C(F)F)CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.34
GAA P10253 4/20 0.32
ALDH1A1 P00352 4/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PPARG P37231 1/20 0.31
MEN1 O00255 1/20 0.31
PKM P14618 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
CTSV O60911 1/20 0.30
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
FFAR1 O14842 1/20 0.30
HPGD P15428 1/20 0.30
AADAT Q8N5Z0 1/20 0.30

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
SCHEMBL1765069 1.00 FAAH (0.34) FAAHGAAALDH1A1KMT2ASMN1; SMN2
SCHEMBL29814837 1.00 FAAH (0.34) FAAHGAAALDH1A1KMT2ASMN1; SMN2
SCHEMBL1765540 1.00 FAAH (0.34) FAAHGAAALDH1A1KMT2ASMN1; SMN2
SCHEMBL1120023 0.84 ALDH1A1 (0.34) FAAHGAAALDH1A1KMT2ASMN1; SMN2
SCHEMBL1765621 0.83 GAA (0.41) GAAALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL1765072 0.83 GAA (0.41) GAAALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL1765070 0.83 GAA (0.41) GAAALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL440115 0.82 HRH3 (0.35) GAAALDH1A1KMT2AMEN1LMNA
SCHEMBL15446675 0.82 ALDH1A1 (0.43) GAAALDH1A1KMT2APPARGHPGD
SCHEMBL1119900 0.81 ALDH1A1 (0.36) FAAHGAAALDH1A1KMT2ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124501-A1 Active compound combinations BAYER CROPSCIENCE AG (DE) 2011-05-26 US claimed
US-20110124501-A1 Active compound combinations BAYER CROPSCIENCE AG (DE) 2011-05-26 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-20110124501-A1 Active compound combinations CYP51A1, CA4, BROX FAAH 2218/4885GAA 90/4885ALDH1A1 240/4885

“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.