SCHEMBL10078880

SCHEMBL10078880

COCCOCC(=O)Nc1cccc(C(C)(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
NAMPT P43490 1/20 0.43
TSHR P16473 2/20 0.43
SCN9A Q15858 1/20 0.41
TP53 P04637 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
AKT1 P31749 1/20 0.40
KMT2A Q03164 1/20 0.38
KIF18A Q8NI77 1/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37

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
SCHEMBL13899793 0.83 NPC1 (0.53) NPC1RAB9ANAMPTTSHRSCN9A
SCHEMBL3216612 0.82 NPC1 (0.49) NPC1RAB9ANAMPTTSHRSCN9A
SCHEMBL10078879 0.82 RXFP1 (0.42) NPC1RAB9ATSHRTP53HSD17B10
SCHEMBL10084857 0.81 CHRNB2 (0.53) NPC1RAB9ANAMPTTSHRSCN9A
SCHEMBL10068162 0.78 PIK3CG (0.45) RAB9AMAPTSMN1; SMN2RXFP1KMT2A
SCHEMBL77605 0.75 ADORA3 (0.47) NPC1RAB9ATP53SMN1; SMN2
SCHEMBL10068157 0.75 HPGD (0.47) NPC1RAB9ATP53HSD17B10MAPT
SCHEMBL77566 0.74 KMT2A (0.57) NPC1RAB9ATSHRHSD17B10MAPT
SCHEMBL10068191 0.74 SMN1; SMN2 (0.74) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL12934604 0.74 NPC1 (0.67) NPC1RAB9ATSHRTP53HSD17B10

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-8119645-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-11-26 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-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 NPC1 3836/4885RAB9A 3411/4885NAMPT 1845/4885

“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.