SCHEMBL10078920

SCHEMBL10078920

CC(C)(C)c1csc(NC(=O)OCCc2ccccc2)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.69
MEN1 O00255 5/20 0.69
NPC1 O15118 7/20 0.57
RAB9A P51151 7/20 0.57
ALDH1A1 P00352 4/20 0.57
MAPK1 P28482 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
POLB P06746 2/20 0.57
LMNA P02545 4/20 0.50
NPSR1 Q6W5P4 3/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
RECQL P46063 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49

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
SCHEMBL10078938 0.88 KMT2A (0.65) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL78859 0.84 SMN1; SMN2 (0.53) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL77461 0.82 ATAD2 (0.52) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10084297 0.82 TSHR (0.52) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10078878 0.81 KMT2A (1.00) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL77454 0.80 NPC1 (0.65) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL77486 0.80 KMT2A (0.86) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL77064 0.80 KMT2A (0.70) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL77077 0.79 MAPK1 (0.57) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL77834 0.79 KMT2A (0.77) KMT2AMEN1NPC1RAB9AALDH1A1

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-8119645-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-11-26 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-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 KMT2A 663/4885MEN1 938/4885NPC1 3836/4885

“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.