SCHEMBL20064060

SCHEMBL20064060

COc1ccc(C(=O)Nc2cccc(C)c2)cc1C(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.62
NPC1 O15118 1/20 0.62
TP53 P04637 1/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
PDE5A O76074 1/20 0.60
PDE1A P54750 1/20 0.60
PDE1B Q01064 1/20 0.60
PDE1C Q14123 1/20 0.60
KCNK3 O14649 8/20 0.60
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
RXFP1 Q9HBX9 1/20 0.59
KCNK9 Q9NPC2 6/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
LMNA P02545 2/20 0.57
TSHR P16473 1/20 0.57
POLB P06746 2/20 0.56

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
SCHEMBL14363225 0.85 POLB (0.75) RAB9ANPC1TP53NFKB1NFKB2
SCHEMBL20073173 0.84 MAPT (0.62) RAB9ATP53KCNK3MEN1KMT2A
SCHEMBL20064056 0.84 MEN1 (0.66) RAB9ANPC1TP53NFKB1NFKB2
SCHEMBL8460899 0.81 PKM (0.64) RAB9ANPC1TP53SMN1; SMN2MEN1
SCHEMBL9486281 0.81 SMN1; SMN2 (0.64) RAB9ANPC1TP53SMN1; SMN2MEN1
SCHEMBL11807944 0.80 CTNNB1 (0.55) RAB9ANPC1KCNK3L3MBTL1LMNA
SCHEMBL7293743 0.78 KCNK3 (0.86) RAB9ANPC1TP53NFKB1NFKB2
SCHEMBL14363190 0.78 KCNK3 (0.68) RAB9ANPC1TP53SMN1; SMN2KCNK3
SCHEMBL259430 0.77 NPC1 (1.00) RAB9ANPC1TP53NFKB1NFKB2
SCHEMBL25950796 0.77 RARA (0.53) RAB9ATP53SMN1; SMN2MEN1KMT2A

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-20180105528-A1 PREPARATION AND USE OF NOVEL PROTEIN KINASE INHIBITORS BRANDEIS UNIVERSITY 2018-04-19 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-20180105528-A1 PREPARATION AND USE OF NOVEL PROTEIN KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K5 RAB9A 1291/4885NPC1 3099/4885TP53 365/4885

“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.