SCHEMBL77575

SCHEMBL77575

COc1ccc(-c2nc(C(C)(C)C)no2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.58
RAB9A P51151 9/20 0.58
MAPT P10636 8/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
NR1H4 Q96RI1 3/20 0.58
NPSR1 Q6W5P4 1/20 0.58
S1PR1 P21453 1/20 0.58
AOC3 Q16853 2/20 0.54
ALDH1A1 P00352 4/20 0.54
KMT2A Q03164 1/20 0.54
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
KDM4E B2RXH2 4/20 0.51
PKM P14618 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HSP90AA1 P07900 1/20 0.51
MAPK1 P28482 1/20 0.50
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46

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
SCHEMBL5643986 0.81 NR1H4 (0.51) NPC1RAB9AMAPTSMN1; SMN2NR1H4
SCHEMBL77062 0.81 NPC1 (0.61) NPC1RAB9AMAPTNPSR1S1PR1
SCHEMBL13617514 0.80 MAPT (0.60) NPC1RAB9AMAPTSMN1; SMN2NR1H4
SCHEMBL19625438 0.79 NR1H4 (0.56) NPC1RAB9AMAPTSMN1; SMN2NR1H4
SCHEMBL21914357 0.79 NPC1 (0.50) NPC1RAB9AMAPTSMN1; SMN2NPSR1
SCHEMBL6506050 0.79 ACHE (0.61) NPC1RAB9AMAPTSMN1; SMN2NPSR1
SCHEMBL77636 0.79 NR1H4 (0.57) NPC1RAB9AMAPTSMN1; SMN2NR1H4
SCHEMBL19886565 0.77 NPC1 (0.63) NPC1RAB9AMAPTSMN1; SMN2NR1H4
SCHEMBL3597226 0.77 NPC1 (0.68) NPC1RAB9AMAPTSMN1; SMN2NR1H4
SCHEMBL15132141 0.77 RAB9A (0.61) NPC1RAB9AMAPTSMN1; SMN2NPSR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3626699-B1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2023-07-12 EP disclosed
EP-3626699-A1 SSAO INHIBITOR Shandong Danhong Pharmaceutical Co., Ltd. (CN) 2020-03-25 EP disclosed
US-8129415-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-03-06 US disclosed
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
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.