SCHEMBL78768

SCHEMBL78768

CC(C)(C)c1csc(NC(=O)Oc2ccc(Cl)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 2/20 0.60
NPC1 O15118 8/20 0.58
KDM4E B2RXH2 5/20 0.58
TDP1 Q9NUW8 1/20 0.58
RAB9A P51151 7/20 0.55
LMNA P02545 4/20 0.55
NPSR1 Q6W5P4 4/20 0.55
HSD17B10 Q99714 2/20 0.55
HTT P42858 2/20 0.55
KMT2A Q03164 6/20 0.55
ALDH1A1 P00352 5/20 0.52
MEN1 O00255 5/20 0.52
MAPK1 P28482 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
POLB P06746 2/20 0.52
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
TAS1R2 Q8TE23 1/20 0.52
HPGD P15428 3/20 0.51
ALOX15 P16050 1/20 0.51

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
SCHEMBL77735 0.89 KMT2A (0.57) FFAR2NPC1KDM4ERAB9ALMNA
SCHEMBL77635 0.88 KMT2A (0.70) NPC1KDM4ERAB9ALMNANPSR1
SCHEMBL77454 0.86 NPC1 (0.65) NPC1KDM4ERAB9ALMNANPSR1
SCHEMBL20791859 0.81 NPC1 (0.76) FFAR2NPC1KDM4ETDP1RAB9A
SCHEMBL22103784 0.80 RAB9A (0.76) FFAR2NPC1KDM4ETDP1RAB9A
SCHEMBL91554 0.79 PDE5A (0.53) NPC1KDM4ERAB9ALMNAKMT2A
SCHEMBL27183705 0.79 MEN1 (0.44) FFAR2NPC1KDM4ETDP1RAB9A
SCHEMBL1464662 0.76 CNR2 (0.58) FFAR2NPC1KDM4ETDP1RAB9A
SCHEMBL16358413 0.76 NPC1 (0.55) FFAR2NPC1KDM4ETDP1RAB9A
SCHEMBL20788538 0.75 FFAR2 (1.00) FFAR2NPC1KDM4ETDP1LMNA

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 FFAR2 2884/4885NPC1 3856/4885KDM4E 760/4885

“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.