SCHEMBL91614

SCHEMBL91614

CCCCCNC(=O)Nc1nc(C(C)(C)CC)cs1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
EPHX1 P07099 9/20 0.43
HTT P42858 1/20 0.43
GHSR Q92847 3/20 0.40
ADRB3 P13945 1/20 0.40
ATAD2 Q6PL18 1/20 0.40

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
SCHEMBL77076 0.90 NPC1 (0.55) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10078883 0.89 NPC1 (0.54) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4137597 0.89 NPC1 (0.54) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL77627 0.80 NPC1 (0.59) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10083282 0.79 LMNA (0.58) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10084855 0.78 LMNA (0.57) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4127538 0.76 MAPT (0.65) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL10085270 0.72 PDE5A (0.57) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL77371 0.71 KMT2A (0.63) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL78204 0.70 KMT2A (0.62) LMNASMN1; SMN2NPC1RAB9AALDH1A1

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.