SCHEMBL18778963

SCHEMBL18778963

Cc1ccc(NC(=O)c2c(-c3ccc(C)cc3)cc(C3CCCC3)[nH]c2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
EPHX1 P07099 1/20 0.40
MAPK14 Q16539 1/20 0.40
MAPT P10636 2/20 0.40
XDH P47989 2/20 0.40
TP53 P04637 1/20 0.40
BRD4 O60885 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDR P35968 2/20 0.39
MET P08581 1/20 0.39
MOGAT2 Q3SYC2 1/20 0.39
HTR1E P28566 1/20 0.39
S1PR3 Q99500 1/20 0.39
P2RY14 Q15391 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL18778944 0.99 NPC1 (0.42) SPRNPC1RAB9AEPHX1MAPK14
SCHEMBL18778954 0.93 MET (0.43) NPC1RAB9AMAPK14MAPTTP53
SCHEMBL18762662 0.92 NPC1 (0.46) NPC1RAB9AEPHX1MAPK14MAPT
SCHEMBL18762667 0.90 MAPT (0.46) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL18762641 0.89 MAPT (0.46) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL18762708 0.86 NAMPT (0.49) NPC1RAB9AMAPTPOLBALDH1A1
SCHEMBL18778996 0.84 GSK3B (0.42)
SCHEMBL18778986 0.82 MEN1 (0.38) NPC1RAB9AEPHX1MAPTTP53
SCHEMBL18778938 0.79 MOGAT2 (0.48) NPC1RAB9AEPHX1MAPTTP53
SCHEMBL18778942 0.77 NPC1 (0.41) NPC1RAB9AEPHX1MAPTTP53

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-20170114054-A1 SUBSTITUTED PYRIDINONES AS MGAT2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-27 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-20170114054-A1 SUBSTITUTED PYRIDINONES AS MGAT2 INHIBITORS PLAAT2, ACAT2, MGAT2 SPR 1061/4885NPC1 357/4885RAB9A 3511/4885

“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.