SCHEMBL3298366

SCHEMBL3298366

Nc1ccc2c(c1)CCN2c1ccc(Cl)nn1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.46
CYP1A2 P05177 1/20 0.41
BPTF Q12830 1/20 0.40
MAPT P10636 3/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.38
RAD52 P43351 1/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
SRD5A1 P18405 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ATAD2 Q6PL18 1/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL5039379 0.80 ROCK1 (0.50) ROCK1CYP1A2BPTFMAPTALDH1A1
SCHEMBL3295698 0.79 GAA (0.62) ROCK1MAPTGAAALDH1A1POLB
SCHEMBL3303824 0.72 HTR6 (0.44) CYP1A2MAPTLMNA
SCHEMBL29756072 0.72 ATAD2 (0.44) ROCK1MAPTGAAKDM4ERAD52
SCHEMBL257149 0.71 DDB1 (0.44) ROCK1MAPTGAAKDM4ERAD52
SCHEMBL12968768 0.71 ROCK1 (0.75) ROCK1
SCHEMBL16862134 0.70 MAOB (0.44) ROCK1CYP1A2MAPTGAAKDM4E
SCHEMBL3298405 0.69 NR1H2 (0.55)
SCHEMBL3035321 0.69 ROCK1 (0.47) ROCK1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL795312 0.69 ROCK1 (0.40) ROCK1MAPTKDM4ERAD52ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121600-B1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2012-07-18 EP disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
WO-2008099000-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 ROCK1 712/4885CYP1A2 592/4885BPTF 4580/4885

“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.