SCHEMBL77628

SCHEMBL77628

CCC(=O)Nc1nc(C(C)(C)C)cs1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
HPGD P15428 2/20 0.64
KMT2A Q03164 7/20 0.63
MEN1 O00255 5/20 0.63
LMNA P02545 5/20 0.63
POLB P06746 3/20 0.63
MAPT P10636 2/20 0.63
RECQL P46063 1/20 0.63
ATAD2 Q6PL18 1/20 0.58
NPC1 O15118 6/20 0.57
RAB9A P51151 6/20 0.57
MAPK1 P28482 2/20 0.57
TAS1R3 Q7RTX0 1/20 0.57
TAS1R1 Q7RTX1 1/20 0.57
TAS1R2 Q8TE23 1/20 0.57
NPSR1 Q6W5P4 3/20 0.57
HSD17B10 Q99714 3/20 0.57
KDM4E B2RXH2 2/20 0.57
HTT P42858 2/20 0.57

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
SCHEMBL77089 0.88 KMT2A (0.67) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL77191 0.86 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL77371 0.84 KMT2A (0.63) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL77898 0.83 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL20788543 0.83 NPC1 (0.77) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL78204 0.83 KMT2A (0.62) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL21484891 0.82 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL10078875 0.82 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL2608447 0.81 ATAD2 (0.63) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL3790984 0.81 NPC1 (0.66) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1

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-10351883-B2 Compounds for increasing lipid synthesis and storage NUTECH VENTURES (US) 2019-07-16 US disclosed
EP-2217565-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-05-22 EP disclosed
US-8383615-B2 Azetidine 2-carboxamide derivatives which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-26 US disclosed
US-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
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 (3 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-10351883-B2 Compounds for increasing lipid synthesis and storage FASN, LIPC, SREBF2 ALDH1A1 1121/4885SMN1; SMN2 4517/4885HPGD 610/4885
US-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 ALDH1A1 1530/4885SMN1; SMN2 4339/4885HPGD 1636/4885
US-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ALDH1A1 1724/4885SMN1; SMN2 4282/4885HPGD 803/4885

“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.