SCHEMBL91508

SCHEMBL91508

CCc1csc(NC(=S)NC2CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 5/20 0.41
LMNA P02545 5/20 0.41
KCNH2 Q12809 2/20 0.41
KMT2A Q03164 5/20 0.39
TDP1 Q9NUW8 2/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 6/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
GCK P35557 1/20 0.39
CACNA1B Q00975 2/20 0.38
APBA1 Q02410 2/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL91563 0.83 LMNA (0.50) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL10085254 0.78 LMNA (0.57) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL77584 0.77 ATAD2 (0.57) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL10084519 0.77 LMNA (0.59) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL91379 0.75 RAB9A (0.56) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL10082036 0.72 RAB9A (0.65) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL10084276 0.71 RAB9A (0.68) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL10082522 0.71 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2KMT2AGAAALDH1A1
SCHEMBL2612387 0.70 SMN1; SMN2 (0.73) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL10085259 0.69 RAB9A (0.52) NPC1RAB9ASMN1; SMN2LMNAKMT2A

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 3465/4885SMN1; SMN2 4339/4885

“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.