SCHEMBL77570

SCHEMBL77570

Cc1ccccc1C(=O)Nc1nc(C(C)(C)C)cs1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.76
RAB9A P51151 8/20 0.76
MEN1 O00255 4/20 0.76
KMT2A Q03164 4/20 0.76
ALDH1A1 P00352 5/20 0.62
NPSR1 Q6W5P4 4/20 0.62
LMNA P02545 3/20 0.62
HSD17B10 Q99714 3/20 0.62
HPGD P15428 3/20 0.62
MAPK1 P28482 2/20 0.62
ALOX15 P16050 1/20 0.62
TSHR P16473 1/20 0.62
KDM4E B2RXH2 5/20 0.61
MAPT P10636 3/20 0.61
HTT P42858 3/20 0.61
GAA P10253 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.60
POLB P06746 1/20 0.60
TAS1R3 Q7RTX0 1/20 0.60
TAS1R1 Q7RTX1 1/20 0.60

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
SCHEMBL77592 0.82 SMN1; SMN2 (0.77) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL22728466 0.80 NPC1 (0.66) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL1543517 0.79 NPC1 (0.62) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL22616876 0.79 KMT2A (0.69) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL29471322 0.79 KMT2A (0.69) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL20791858 0.79 SMN1; SMN2 (0.77) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL22616877 0.78 KMT2A (0.64) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL2754054 0.78 KDM4E (0.80) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL31665141 0.78 KDM4E (0.80) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL91521 0.78 PDE5A (0.59) NPC1RAB9AALDH1A1NPSR1LMNA

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 NPC1 3856/4885RAB9A 3465/4885MEN1 930/4885

“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.