SCHEMBL77504

SCHEMBL77504

CC(C)(C)c1nc(Cc2ccccc2)no1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CHUK O15111 1/20 0.49
TXNRD1 Q16881 1/20 0.49
NOX4 Q9NPH5 1/20 0.49
HTT P42858 1/20 0.49
TSHR P16473 2/20 0.46
ALOX5 P09917 1/20 0.41
LMNA P02545 3/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 5/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
NMT1 P30419 1/20 0.38

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
SCHEMBL432480 0.83 NPC1 (0.53) MAPK1NPC1RAB9ATDP1L3MBTL1
SCHEMBL10202922 0.77 MAPK1 (0.54) MAPK1NPC1RAB9ATDP1L3MBTL1
SCHEMBL2656622 0.77 MAPK1 (0.61) MAPK1NPC1RAB9ATDP1L3MBTL1
SCHEMBL92379 0.74 MAPK1 (0.57) MAPK1NPC1RAB9ATDP1L3MBTL1
SCHEMBL23455006 0.73 SLC6A2 (0.39) MAPK1NPC1RAB9ATDP1L3MBTL1
SCHEMBL433715 0.73 MAPK1 (0.53) MAPK1NPC1RAB9ATDP1L3MBTL1
SCHEMBL11867175 0.73 CHUK (0.61) MAPK1NPC1RAB9ATDP1L3MBTL1
Hydrochloric Acid SCHEMBL12478356 0.72 MAPK1 (0.53) MAPK1NPC1RAB9ATDP1L3MBTL1
SCHEMBL9416867 0.72 L3MBTL1 (0.53) MAPK1NPC1RAB9ATDP1L3MBTL1
SCHEMBL13684208 0.72 RAB9A (0.53) MAPK1NPC1RAB9ATDP1L3MBTL1

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 3 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
US-20080293674-A1 Azinyl Imidazoazine and Azinyl Carboxamide BAYER CROPSCIENCE AG (DE) 2008-11-27 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 (2 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-20080293674-A1 Azinyl Imidazoazine and Azinyl Carboxamide AZI2, NISCH, ZYX MAPK1 3570/4885NPC1 2845/4885RAB9A 4703/4885
US-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 MAPK1 2712/4885NPC1 3856/4885RAB9A 3465/4885

“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.