SCHEMBL16154384

SCHEMBL16154384

CC(c1ccccc1)c1cn(C)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
NPC1 O15118 1/20 0.60
POLB P06746 1/20 0.60
IDO1 P14902 1/20 0.54
KDM4E B2RXH2 1/20 0.51
SRC P12931 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GPR84 Q9NQS5 1/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
AKT1 P31749 2/20 0.43
ROCK2 O75116 1/20 0.43
MAP4K4 O95819 1/20 0.43
PRKCG P05129 1/20 0.43

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
SCHEMBL27960948 0.84 MEN1 (0.59) MEN1KMT2ANPC1POLBIDO1
SCHEMBL27983751 0.82 MEN1 (0.56) MEN1KMT2ANPC1POLBIDO1
SCHEMBL820361 0.81 IDO1 (0.61) MEN1KMT2ANPC1POLBIDO1
SCHEMBL477500 0.81 IDO1 (0.61) MEN1KMT2ANPC1POLBIDO1
SCHEMBL31268114 0.79 MEN1 (0.67) MEN1KMT2ANPC1POLBIDO1
SCHEMBL8591131 0.79 MEN1 (0.67) MEN1KMT2ANPC1POLBIDO1
SCHEMBL5261442 0.78 SRC (0.64) MEN1KMT2ANPC1POLBIDO1
SCHEMBL29202669 0.78 IDO1 (0.54) MEN1KMT2ANPC1POLBIDO1
SCHEMBL19866686 0.78 IDO1 (0.57) MEN1KMT2ANPC1POLBIDO1
SCHEMBL3904321 0.78 IDO1 (0.62) MEN1KMT2ANPC1POLBIDO1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133157-B2 HIV protease inhibitors MERCK CANADA INC. (CA) 2015-09-15 US disclosed
US-9133157-B2 HIV protease inhibitors MERCK CANADA INC. (CA) 2015-09-15 US disclosed
US-20140303171-A1 HIV PROTEASE INHIBITORS MERCK CANADA INC. (CA) 2014-10-09 US disclosed
US-20140303171-A1 HIV PROTEASE INHIBITORS MERCK CANADA INC. (CA) 2014-10-09 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-20140303171-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, PRSS3 MEN1 3595/4885KMT2A 2167/4885NPC1 767/4885

“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.