SCHEMBL91577

SCHEMBL91577

CCc1csc(NC(=O)NCCc2cccc(Cl)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.56
ROCK2 O75116 2/20 0.53
ROCK1 Q13464 2/20 0.53
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 4/20 0.52
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
HTT P42858 2/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTPRB P23467 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL91393 0.86 ROCK2 (0.64) CNR1ROCK2ROCK1MAPTSMN1; SMN2
SCHEMBL91380 0.86 TRPV1 (0.48) CNR1ROCK2ROCK1MAPTSMN1; SMN2
SCHEMBL77468 0.84 CNR1 (0.55) CNR1ROCK2ROCK1MAPTSMN1; SMN2
SCHEMBL91505 0.83 CNR1 (0.57) CNR1ROCK2ROCK1MAPTSMN1; SMN2
SCHEMBL2561226 0.81 ROCK1 (0.81) ROCK2ROCK1
SCHEMBL91535 0.80 MAPT (0.51) CNR1ROCK2ROCK1MAPTSMN1; SMN2
SCHEMBL91611 0.78 FPR2 (0.55) CNR1ROCK2ROCK1MAPTSMN1; SMN2
SCHEMBL91525 0.77 LMNA (0.70) ROCK2ROCK1MAPTSMN1; SMN2LMNA
SCHEMBL91397 0.77 ROCK2 (0.62) ROCK2ROCK1LMNAPOLBKMT2A
SCHEMBL10083282 0.76 LMNA (0.58) SMN1; SMN2LMNARAB9ANPC1HTT

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.