SCHEMBL91505

SCHEMBL91505

CCc1csc(NC(=O)NCCc2ccc(Cl)cc2Cl)n1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.57
ROCK2 O75116 2/20 0.56
ROCK1 Q13464 2/20 0.56
HPGD P15428 2/20 0.50
PDE5A O76074 1/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 4/20 0.45
KMT2A Q03164 2/20 0.45
AKT3 Q9Y243 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
P2RX7 Q99572 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL77063 0.84 CNR1 (0.56) CNR1ROCK2ROCK1HPGDLMNA
SCHEMBL91577 0.83 CNR1 (0.56) CNR1ROCK2ROCK1HPGDLMNA
SCHEMBL91380 0.81 TRPV1 (0.48) CNR1ROCK2ROCK1LMNAMAPT
SCHEMBL91525 0.77 LMNA (0.70) ROCK2ROCK1PDE5ALMNAMAPT
SCHEMBL91393 0.77 ROCK2 (0.64) CNR1ROCK2ROCK1PDE5ALMNA
SCHEMBL91535 0.75 MAPT (0.51) CNR1ROCK2ROCK1HPGDLMNA
SCHEMBL10083282 0.74 LMNA (0.58) PDE5ALMNAKMT2ASMN1; SMN2NPC1
SCHEMBL91611 0.73 FPR2 (0.55) CNR1ROCK2ROCK1LMNAMAPT
SCHEMBL22834267 0.73 CNR1 (1.00) CNR1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL29615227 0.73 CNR1 (1.00) CNR1LMNAMAPTKMT2ASMN1; SMN2

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-8129415-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-03-06 US disclosed
US-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-07-30 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-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 CNR1 3595/4885ROCK2 2794/4885ROCK1 2709/4885

“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.