SCHEMBL7148341

SCHEMBL7148341

NC(=O)c1cccc(-c2nnc(Nc3ccc(Cl)c(Cl)c3)s2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.55
ROCK2 O75116 3/20 0.53
ROCK1 Q13464 2/20 0.53
BLM P54132 5/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
DNMT1 P26358 1/20 0.49
HTT P42858 1/20 0.49
DUSP3 P51452 1/20 0.49
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
MCL1 Q07820 1/20 0.49
WRN Q14191 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDR P35968 1/20 0.48

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
SCHEMBL7148349 0.83 ROCK2 (0.61) GUSBROCK2ROCK1BLMKMT2A
SCHEMBL6155161 0.83 GUSB (0.60) GUSBROCK2ROCK1BLMKMT2A
SCHEMBL6153810 0.82 KMO (0.55) GUSBROCK2ROCK1BLMKMT2A
Sulfuric Acid SCHEMBL7517833 0.81 ROCK2 (0.54) GUSBROCK2ROCK1BLMKMT2A
SCHEMBL4954816 0.80 GUSB (0.56) GUSBROCK2ROCK1BLMKMT2A
SCHEMBL6155747 0.78 GUSB (0.70) GUSBROCK1BLMKMT2AMEN1
SCHEMBL6155442 0.78 ROCK2 (0.64) GUSBROCK2ROCK1BLMKMT2A
SCHEMBL6154359 0.77 GUSB (0.65) GUSBROCK2ROCK1BLMKMT2A
SCHEMBL7097582 0.77 HDAC6 (0.47) KMT2AMEN1POLBKDM4EALDH1A1
SCHEMBL6155142 0.76 GUSB (0.60) GUSBROCK2ROCK1BLMKMT2A

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
EP-1339668-A2 BISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIRUS GUILFORD PHARMACEUTICALS INC. (US) 2003-09-03 EP claimed
US-20020127605-A1 Bisubstituted carbocyclic cyclophilin binding compounds and their use GUILFORD PHARMACEUTICALS, INC. 2002-09-12 US claimed
WO-2002044126-A2 BISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIRUS GUILFORD PHARMACEUTICALS INC. (US) 2002-06-06 WO claimed
US-20020127605-A1 Bisubstituted carbocyclic cyclophilin binding compounds and their use GUILFORD PHARMACEUTICALS, INC. 2002-09-12 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-20020127605-A1 Bisubstituted carbocyclic cyclophilin binding compounds and their use PPIG, PIN1, PPIH GUSB 1267/4885ROCK2 3308/4885ROCK1 3779/4885

“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.