SCHEMBL16617733

SCHEMBL16617733

C[C](C)c1ccc2[nH]ncc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 6/20 0.56
WNT3A P56704 6/20 0.56
ROCK2 O75116 5/20 0.54
ROCK1 Q13464 4/20 0.54
NOS1 P29475 3/20 0.53
RAB9A P51151 3/20 0.53
METAP2 P50579 1/20 0.53
CSNK2A1 P68400 1/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 1/20 0.53
HIF1A Q16665 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
GSK3B P49841 2/20 0.49
CLK1 P49759 2/20 0.49
CLK2 P49760 2/20 0.49

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
SCHEMBL14738116 0.85 CTNNB1 (0.54) CTNNB1WNT3AROCK2ROCK1NOS1
SCHEMBL29521387 0.85 ROCK2 (0.64) CTNNB1WNT3AROCK2ROCK1RAB9A
SCHEMBL122504 0.85 ROCK2 (0.64) CTNNB1WNT3AROCK2ROCK1RAB9A
SCHEMBL264384 0.82 RAB9A (0.57) CTNNB1WNT3AROCK2ROCK1NOS1
SCHEMBL264383 0.82 RAB9A (0.57) CTNNB1WNT3AROCK2ROCK1NOS1
SCHEMBL14350880 0.82 CTNNB1 (0.66) CTNNB1WNT3AROCK2ROCK1RAB9A
SCHEMBL30270547 0.79 CTNNB1 (0.65) CTNNB1WNT3AROCK2ROCK1NOS1
SCHEMBL261380 0.79 CTNNB1 (0.65) CTNNB1WNT3AROCK2ROCK1NOS1
SCHEMBL25139625 0.79 CTNNB1 (0.58) CTNNB1WNT3AROCK2ROCK1NOS1
SCHEMBL1419814 0.78 AR (0.63) CTNNB1WNT3AROCK2ROCK1NOS1

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-20180327401-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2018-11-15 US disclosed
US-10077261-B2 Imidazolin-5-one derivative useful as FASN inhibitors for the treatment of cancer JANSSEN PHARMACEUTICA NV (BE) 2018-09-18 US disclosed
US-20160002219-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2016-01-07 US disclosed
US-20150099730-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA, NV (BE) 2015-04-09 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 (4 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-20150099730-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER FASN, PLIN1, FABP1 CTNNB1 4568/4885WNT3A 3805/4885ROCK2 2366/4885
US-10077261-B2 Imidazolin-5-one derivative useful as FASN inhibitors for the treatment of cancer FASN, PLIN1, FABP1 CTNNB1 4568/4885WNT3A 3805/4885ROCK2 2366/4885
US-20180327401-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER FASN, PLIN1, FABP1 CTNNB1 4568/4885WNT3A 3805/4885ROCK2 2366/4885
US-20160002219-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER FASN, PLIN1, FABP1 CTNNB1 4568/4885WNT3A 3805/4885ROCK2 2366/4885

“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.