SCHEMBL77103

SCHEMBL77103

CC(C)(C)c1noc(-c2ccco2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.51
NPC1 O15118 10/20 0.51
SMN1; SMN2 Q16637 7/20 0.51
TSHR P16473 4/20 0.51
TP53 P04637 4/20 0.50
CASP3 P42574 2/20 0.50
HSD17B10 Q99714 9/20 0.49
POLB P06746 2/20 0.49
PKM P14618 2/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPK1 P28482 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
ALDH1A1 P00352 7/20 0.48
MAPT P10636 7/20 0.47
HPGD P15428 7/20 0.43
USP2 O75604 5/20 0.43
RECQL P46063 2/20 0.43

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
SCHEMBL5660084 0.77 RAB9A (0.56) RAB9ANPC1SMN1; SMN2TSHRTP53
SCHEMBL512093 0.74 NPC1 (0.41) RAB9ANPC1SMN1; SMN2TSHRTP53
SCHEMBL5660080 0.73 RAB9A (0.56) RAB9ANPC1SMN1; SMN2TSHRTP53
SCHEMBL77636 0.73 NR1H4 (0.57) RAB9ANPC1SMN1; SMN2TSHRTP53
SCHEMBL12385450 0.72 RAB9A (0.51) RAB9ANPC1SMN1; SMN2TSHRTP53
SCHEMBL91494 0.72 RAB9A (0.51) RAB9ANPC1SMN1; SMN2TSHRTP53
SCHEMBL10146108 0.70 PIK3CG (0.44) RAB9ANPC1HSD17B10MEN1KMT2A
SCHEMBL13930846 0.70 NPC1 (0.76) RAB9ANPC1SMN1; SMN2TSHRTP53
SCHEMBL26262564 0.70 AOC3 (0.50) RAB9ANPC1SMN1; SMN2TSHRTP53
SCHEMBL3265418 0.70 CASP3 (0.72) RAB9ANPC1SMN1; SMN2TSHRTP53

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 RAB9A 3465/4885NPC1 3856/4885SMN1; SMN2 4339/4885

“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.