SCHEMBL1369946

SCHEMBL1369946

CC(C)(C)OC(=O)N(Cc1ccc(Cl)cc1)Cc1ccc(CC#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
GPR119 Q8TDV5 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
NR1H2 P55055 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.39
NR1D1 P20393 1/20 0.39
NR1H3 Q13133 1/20 0.39
HTT P42858 2/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
MT-CO2 P00403 1/20 0.37

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
SCHEMBL1369160 0.83 HDAC3 (0.47) HDAC3HDAC1HDAC2NCOR2GPR119
SCHEMBL2056117 0.83 HDAC3 (0.49) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL3149329 0.82 HDAC3 (0.46) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL1196677 0.81 HDAC3 (0.44) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL21997473 0.81 CTSS (0.46) HDAC3HDAC1HDAC2NCOR2GPR119
SCHEMBL14999782 0.80 ALDH1A1 (0.47) CTSLCTSSALDH1A1NPC1L3MBTL1
SCHEMBL2258889 0.80 SSTR4 (0.50) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL1368166 0.79 HDAC1 (0.52) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL2258715 0.78 HDAC3 (0.43) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL18687347 0.78 ROCK2 (0.44) HDAC3HDAC1HDAC2NCOR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288293-A1 ISOQUINOLINE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-11-24 US disclosed
EP-2377851-A1 ISOQUINOLINE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2011-10-19 EP 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-20110288293-A1 ISOQUINOLINE DERIVATIVE HRH1, HRH2, HRH4 HDAC3 615/4885HDAC1 415/4885HDAC2 62/4885

“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.