SCHEMBL6717820

SCHEMBL6717820

CCOc1c(Cl)cc(C(=O)Nc2ccc3c(c2)CN(C)CC3)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
ROCK2 O75116 8/20 0.54
CYP3A4 P08684 2/20 0.50
HSD17B10 Q99714 1/20 0.50
ROCK1 Q13464 1/20 0.49
TNF P01375 1/20 0.48
NOD2 Q9HC29 1/20 0.48
NOD1 Q9Y239 1/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
MAPT P10636 2/20 0.48
ABL1 P00519 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
RIN1 Q13671 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL6371565 0.89 MEN1 (0.54) MEN1KMT2ARAB9ANPC1HSD17B10
SCHEMBL6293636 0.89 ROCK2 (0.60) ROCK2CYP3A4ROCK1ALDH1A1MAPT
SCHEMBL6299444 0.89 ROCK2 (0.63) MEN1KMT2ARAB9ANPC1ROCK2
SCHEMBL6293942 0.87 KMT2A (0.64) MEN1KMT2ARAB9ANPC1ROCK2
SCHEMBL8238838 0.85 PLAU (0.58) MEN1KMT2AROCK2CYP3A4NOD1
SCHEMBL7657010 0.85 MEN1 (0.52) MEN1KMT2ARAB9ANPC1ROCK2
SCHEMBL6298411 0.83 TMPRSS2 (0.65) MEN1KMT2ARAB9ANPC1ROCK2
SCHEMBL7802384 0.83 MEN1 (0.58) MEN1KMT2ARAB9ANPC1ROCK2
SCHEMBL6293583 0.80 MAPT (0.59) MEN1KMT2ARAB9ANPC1ROCK2
SCHEMBL6293954 0.80 ROCK2 (0.77) MEN1KMT2ARAB9ANPC1ROCK2

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-20040209912-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2004-10-21 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-20040209912-A1 Substituted isoquinoline derivatives and their use as anticonvulsants INA, GRIN2C, GRIN2A MEN1 3408/4885KMT2A 445/4885RAB9A 1671/4885

“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.