SCHEMBL77091

SCHEMBL77091

CC(C)(C)c1noc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
THRB P10828 1/20 0.59
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
S1PR1 P21453 6/20 0.52
AOC3 Q16853 2/20 0.48
KMT2A Q03164 1/20 0.48
CASP3 P42574 3/20 0.47
POLB P06746 1/20 0.46
S1PR3 Q99500 2/20 0.46
CHUK O15111 1/20 0.44
TXNRD1 Q16881 1/20 0.44
NOX4 Q9NPH5 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL77062 0.88 NPC1 (0.61) LMNATHRBNPC1RAB9ATP53
SCHEMBL26262564 0.83 AOC3 (0.50) LMNATHRBNPC1RAB9ATP53
SCHEMBL77275 0.81 RAB9A (0.60) LMNANPC1RAB9AMAPTHPGD
SCHEMBL15132141 0.81 RAB9A (0.61) LMNANPC1RAB9ATP53MAPT
SCHEMBL5643986 0.81 NR1H4 (0.51) LMNANPC1RAB9ATP53MAPT
SCHEMBL13020876 0.80 LMNA (0.55) LMNATHRBNPC1RAB9ATP53
SCHEMBL6506050 0.79 ACHE (0.61) LMNANPC1RAB9ATP53MAPT
SCHEMBL21914357 0.79 NPC1 (0.50) LMNANPC1RAB9ATP53MAPT
SCHEMBL19625438 0.79 NR1H4 (0.56) LMNANPC1RAB9ATP53MAPT
SCHEMBL2662628 0.79 LMNA (0.88) LMNATHRBNPC1RAB9ATP53

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 2321/4885THRB 1672/4885NPC1 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.