SCHEMBL77063

SCHEMBL77063

CC(C)(C)c1csc(NC(=O)NCCc2ccc(Cl)cc2Cl)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.56
ROCK2 O75116 1/20 0.55
ROCK1 Q13464 1/20 0.55
HPGD P15428 3/20 0.49
NPC1 O15118 6/20 0.49
RAB9A P51151 5/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPK1 P28482 3/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 2/20 0.49
FFAR2 O15552 1/20 0.48
LMNA P02545 4/20 0.47
KDM4E B2RXH2 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
HSD17B10 Q99714 2/20 0.47
HTT P42858 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.44

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
SCHEMBL91505 0.84 CNR1 (0.57) CNR1ROCK2ROCK1HPGDNPC1
SCHEMBL77468 0.83 CNR1 (0.55) CNR1ROCK2ROCK1HPGDNPC1
SCHEMBL77328 0.82 NPC1 (0.50) CNR1ROCK2ROCK1HPGDNPC1
SCHEMBL77064 0.78 KMT2A (0.70) ROCK2ROCK1HPGDNPC1RAB9A
SCHEMBL77627 0.76 NPC1 (0.59) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL77444 0.76 KMT2A (0.55) CNR1ROCK2ROCK1HPGDNPC1
SCHEMBL22103784 0.74 RAB9A (0.76) NPC1RAB9AMEN1KMT2AMAPK1
SCHEMBL77071 0.74 KMT2A (0.69) CNR1ROCK2ROCK1NPC1RAB9A
SCHEMBL77076 0.73 NPC1 (0.55) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL20788543 0.73 NPC1 (0.77) HPGDNPC1RAB9AMEN1KMT2A

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-8129415-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-03-06 US disclosed
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
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.