SCHEMBL77328

SCHEMBL77328

CC(C)(C)c1csc(NC(=O)NCCc2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPK1 P28482 3/20 0.50
ALDH1A1 P00352 3/20 0.50
POLB P06746 2/20 0.50
TRPV1 Q8NER1 2/20 0.48
LMNA P02545 5/20 0.47
NPSR1 Q6W5P4 3/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HTT P42858 2/20 0.47
MAPT P10636 3/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
RAF1 P04049 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45

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
SCHEMBL77468 0.86 CNR1 (0.55) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL91380 0.83 TRPV1 (0.48) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL77444 0.83 KMT2A (0.55) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL77064 0.83 KMT2A (0.70) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL77063 0.82 CNR1 (0.56) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL77071 0.81 KMT2A (0.69) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL77627 0.77 NPC1 (0.59) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL77076 0.74 NPC1 (0.55) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL20788543 0.74 NPC1 (0.77) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4137597 0.73 NPC1 (0.54) NPC1RAB9AKMT2AMEN1SMN1; 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 NPC1 3856/4885RAB9A 3465/4885KMT2A 609/4885

“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.