SCHEMBL7045951

SCHEMBL7045951

CC(C)Oc1nccc2c(S(=O)(=O)N3CCCNCC3)cccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.67
ROCK1 Q13464 7/20 0.67
PRKCE Q02156 3/20 0.67
PRKCD Q05655 3/20 0.67
PRKD1 Q15139 3/20 0.67
PRKX P51817 2/20 0.67
CYP3A4 P08684 5/20 0.58
KMT2A Q03164 5/20 0.58
CYP2D6 P10635 3/20 0.58
MYLK Q15746 3/20 0.58
NFKB1 P19838 3/20 0.58
CYP1A2 P05177 3/20 0.58
MEN1 O00255 3/20 0.58
TP53 P04637 2/20 0.58
MAPK1 P28482 2/20 0.58
CYP2C9 P11712 1/20 0.58
LMNA P02545 3/20 0.57
GMNN O75496 2/20 0.57
TSHR P16473 2/20 0.57
MAPT P10636 2/20 0.57

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
SCHEMBL7049151 0.88 ROCK2 (0.71) ROCK2ROCK1PRKCEPRKCDPRKD1
SCHEMBL7047822 0.86 ROCK2 (0.68) ROCK2ROCK1PRKCEPRKCDPRKD1
SCHEMBL31399681 0.85 ROCK2 (0.59) ROCK2ROCK1PRKCEPRKCDPRKD1
SCHEMBL31399766 0.83 ROCK2 (0.63) ROCK2ROCK1PRKCEPRKCDPRKD1
SCHEMBL13513878 0.83 ROCK2 (0.77) ROCK2ROCK1PRKCEPRKCDPRKD1
SCHEMBL7811565 0.83 ROCK2 (0.51) ROCK2ROCK1PRKCEPRKCDPRKD1
SCHEMBL7807378 0.82 ROCK2 (0.62) ROCK2ROCK1PRKCEPRKCDPRKD1
SCHEMBL31399751 0.81 ROCK2 (0.59) ROCK2ROCK1PRKCEPRKCDPRKD1
Hydroxyfasudil SCHEMBL1827528 0.80 ROCK2 (0.75) ROCK2ROCK1PRKCEPRKCDPRKD1
SCHEMBL6845278 0.80 ROCK2 (1.00) ROCK2ROCK1PRKCEPRKCDPRKD1

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-20040266755-A1 Prodrugs of 1-(1-hydroxy-5-isoquinolinesulfonyl) homopiperazine SCHERING AKTIENGESELLSCHAFT (DE) 2004-12-30 US claimed
WO-2004106325-A1 PRODRUGS OF 1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE SCHERING AKTIENGESELLSCHAFT (DE) 2004-12-09 WO claimed
US-20040266755-A1 Prodrugs of 1-(1-hydroxy-5-isoquinolinesulfonyl) homopiperazine SCHERING AKTIENGESELLSCHAFT (DE) 2004-12-30 US disclosed
WO-2004106325-A1 PRODRUGS OF 1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE SCHERING AKTIENGESELLSCHAFT (DE) 2004-12-09 WO 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-20040266755-A1 Prodrugs of 1-(1-hydroxy-5-isoquinolinesulfonyl) homopiperazine HTR5A, CYP2S1, CYP3A5 ROCK2 3996/4885ROCK1 2844/4885PRKCE 4513/4885

“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.