SCHEMBL77062

SCHEMBL77062

CC(C)(C)c1ccc(-c2nc(C(C)(C)C)no2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.61
RAB9A P51151 6/20 0.61
MAPT P10636 2/20 0.61
LMNA P02545 2/20 0.61
TP53 P04637 1/20 0.61
HPGD P15428 1/20 0.61
TSHR P16473 1/20 0.61
HTT P42858 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.51
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
ALDH1A1 P00352 1/20 0.49
AOC3 Q16853 2/20 0.48
KDM4E B2RXH2 3/20 0.46
S1PR1 P21453 3/20 0.44
S1PR3 Q99500 2/20 0.44
IKBKB O14920 2/20 0.44
THRB P10828 1/20 0.44
NOTUM Q6P988 1/20 0.44

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
SCHEMBL77091 0.88 LMNA (0.59) NPC1RAB9AMAPTLMNATP53
SCHEMBL5643986 0.85 NR1H4 (0.51) NPC1RAB9AMAPTLMNATP53
SCHEMBL21914357 0.84 NPC1 (0.50) NPC1RAB9AMAPTLMNATP53
SCHEMBL6506050 0.84 ACHE (0.61) NPC1RAB9AMAPTLMNATP53
SCHEMBL19625438 0.84 NR1H4 (0.56) NPC1RAB9AMAPTLMNATP53
SCHEMBL77636 0.83 NR1H4 (0.57) NPC1RAB9AMAPTLMNATP53
SCHEMBL419312 0.81 LMNA (0.64) NPC1RAB9AMAPTLMNATP53
SCHEMBL15132141 0.81 RAB9A (0.61) NPC1RAB9AMAPTLMNATP53
SCHEMBL77575 0.81 NPC1 (0.58) NPC1RAB9AMAPTLMNAHPGD
SCHEMBL20567552 0.80 AOC3 (0.44) NPC1RAB9AMAPTLMNATP53

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 3465/4885MAPT 2769/4885

“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.