SCHEMBL77605

SCHEMBL77605

CCCC(=O)Nc1cccc(C(C)(C)C)n1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.47
ADORA1 P30542 8/20 0.47
ADORA2A P29274 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ADORA2B P29275 1/20 0.43
MAPK1 P28482 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL77586 0.90 NPC1 (0.49) ADORA3ADORA1SMN1; SMN2NPC1RAB9A
SCHEMBL821743 0.85 SMN1; SMN2 (0.61) ADORA3ADORA1ADORA2ASMN1; SMN2NPC1
SCHEMBL2400372 0.82 CLK4 (0.45)
SCHEMBL10068156 0.81 ALDH1A1 (0.60) ADORA3ADORA1ADORA2ASMN1; SMN2NPC1
SCHEMBL10068191 0.81 SMN1; SMN2 (0.74) ADORA3ADORA1ADORA2ASMN1; SMN2NPC1
SCHEMBL10079027 0.79 NPC1 (0.58) SMN1; SMN2NPC1RAB9A
SCHEMBL10068142 0.79 EPHX1 (0.49) SMN1; SMN2NPC1RAB9ATP53
SCHEMBL10183380 0.79 KDM4E (0.57) ADORA3ADORA1ADORA2ASMN1; SMN2RAB9A
SCHEMBL29177265 0.79 RAB9A (0.49) SMN1; SMN2NPC1RAB9ATP53
SCHEMBL10068157 0.78 HPGD (0.47) SMN1; SMN2NPC1RAB9AMAPK1TP53

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
US-8129415-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-03-06 US disclosed
US-8119646-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-8119646-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-20090258875-A1 Fungicide Hydroximoyl-Tetrazole Derivatives BAYER CROPSCIENCE AG (DE) 2009-10-15 US disclosed
US-20090258875-A1 Fungicide Hydroximoyl-Tetrazole Derivatives BAYER CROPSCIENCE AG (DE) 2009-10-15 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 (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-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 ADORA3 3923/4885ADORA1 4378/4885ADORA2A 4609/4885
US-20090258875-A1 Fungicide Hydroximoyl-Tetrazole Derivatives HAAO, CYP51A1, CYP8B1 ADORA3 3786/4885ADORA1 4324/4885ADORA2A 4548/4885

“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.