SCHEMBL7569920

SCHEMBL7569920

COC(=O)c1ccc(C#N)c(-c2ccc(C)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 6/20 0.44
MAPT P10636 4/20 0.44
PTGS2 P35354 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK14 Q16539 1/20 0.43
MYC P01106 1/20 0.43
MAX P61244 1/20 0.43
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EGFR P00533 1/20 0.43
CYP2C9 P11712 2/20 0.42
KDM1A O60341 3/20 0.42

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
SCHEMBL30877906 0.87 CA1 (0.54) MAPTNPC1RAB9AMAPK14KDM4E
SCHEMBL29663125 0.87 CA1 (0.54) MAPTNPC1RAB9AMAPK14KDM4E
SCHEMBL8155327 0.87 PTGS2 (0.54) ALDH1A1MAPTPTGS2RAB9AMAPK14
SCHEMBL28577777 0.81 EGFR (0.52) TDP1ALDH1A1MAPTPTGS2HSD17B10
SCHEMBL30849990 0.81 EGFR (0.64) ALDH1A1MAPTPTGS2RAB9AL3MBTL1
SCHEMBL21083536 0.81 EGFR (0.64) ALDH1A1MAPTPTGS2RAB9AL3MBTL1
SCHEMBL3722137 0.80 EGFR (0.51) TDP1ALDH1A1MAPTPTGS2KDM4E
SCHEMBL9423312 0.79 TDP1 (0.59) TDP1ALDH1A1MAPTPTGS2NPC1
SCHEMBL30571934 0.79 TDP1 (0.59) TDP1ALDH1A1MAPTPTGS2NPC1
SCHEMBL2127568 0.79 CYP11B1 (0.60) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA

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-20020019527-A1 Substituted phenyl farnesyltransferase inhibitors ABBOTT LABORATORIES 2002-02-14 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-20020019527-A1 Substituted phenyl farnesyltransferase inhibitors FNTA, FNTB, SLC10A1 TDP1 1874/4885ALDH1A1 385/4885MAPT 1802/4885

“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.