SCHEMBL91525

SCHEMBL91525

CCCNC(=O)Nc1nc(CC)cs1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.70
SMN1; SMN2 Q16637 5/20 0.56
NPC1 O15118 5/20 0.50
RAB9A P51151 3/20 0.50
KMT2A Q03164 3/20 0.48
ATG4B Q9Y4P1 1/20 0.46
GAA P10253 1/20 0.45
TP53 P04637 1/20 0.44
PDE5A O76074 1/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
EPHX1 P07099 1/20 0.41

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
SCHEMBL10083282 0.90 LMNA (0.58) LMNASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL10084855 0.89 LMNA (0.57) LMNASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL91393 0.83 ROCK2 (0.64) LMNASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL10084520 0.81 LMNA (0.49) LMNASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL91535 0.81 MAPT (0.51) LMNASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL10084856 0.80 KMT2A (0.49) LMNASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL91458 0.80 ALDH1A1 (0.54) LMNASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL77627 0.79 NPC1 (0.59) LMNASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL91397 0.79 ROCK2 (0.62) LMNAKMT2ATP53MEN1ROCK2
SCHEMBL2612387 0.79 SMN1; SMN2 (0.73) LMNASMN1; SMN2NPC1RAB9AKMT2A

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 LMNA 2321/4885SMN1; SMN2 4339/4885NPC1 3856/4885

“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.