SCHEMBL77627

SCHEMBL77627

CCCNC(=O)Nc1nc(C(C)(C)C)cs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.59
RAB9A P51151 7/20 0.59
KMT2A Q03164 6/20 0.59
MEN1 O00255 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
ALDH1A1 P00352 4/20 0.59
MAPK1 P28482 3/20 0.59
POLB P06746 2/20 0.59
LMNA P02545 5/20 0.56
ATAD2 Q6PL18 1/20 0.53
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
TAS1R2 Q8TE23 1/20 0.52
HPGD P15428 2/20 0.52
NPSR1 Q6W5P4 3/20 0.51
HSD17B10 Q99714 2/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
MAPT P10636 2/20 0.51
RECQL P46063 1/20 0.51

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 0.91 NPC1 (0.55) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4137597 0.89 NPC1 (0.54) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL10078883 0.89 NPC1 (0.54) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL20788543 0.85 NPC1 (0.77) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL77064 0.82 KMT2A (0.70) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL10078902 0.81 NPC1 (0.60) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL91614 0.80 LMNA (0.46) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL77444 0.80 KMT2A (0.55) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL91525 0.79 LMNA (0.70) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL77089 0.79 KMT2A (0.67) 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.