SCHEMBL77497

SCHEMBL77497

CC(C)(C)NC(=O)Nc1nc(C(C)(C)C)cs1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.65
RAB9A P51151 8/20 0.65
KMT2A Q03164 6/20 0.65
ALDH1A1 P00352 5/20 0.65
MEN1 O00255 5/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
MAPK1 P28482 3/20 0.65
POLB P06746 2/20 0.65
ATAD2 Q6PL18 1/20 0.58
TAS1R3 Q7RTX0 1/20 0.57
TAS1R1 Q7RTX1 1/20 0.57
TAS1R2 Q8TE23 1/20 0.57
HPGD P15428 3/20 0.57
LMNA P02545 4/20 0.56
NPSR1 Q6W5P4 3/20 0.56
HSD17B10 Q99714 2/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
KDM4E B2RXH2 3/20 0.55
HTT P42858 2/20 0.55

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
SCHEMBL20788543 0.90 NPC1 (0.77) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL10078890 0.83 NPC1 (0.63) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL2608447 0.81 ATAD2 (0.63) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL3790984 0.81 NPC1 (0.66) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL6475970 0.80 ATAD2 (0.61) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL77451 0.80 ATAD2 (0.61) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL91458 0.79 ALDH1A1 (0.54) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL10078887 0.79 MEN1 (1.00) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL77627 0.79 NPC1 (0.59) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL77075 0.79 ATAD2 (0.64) NPC1RAB9AKMT2AALDH1A1MEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738035-B2 Hepatitis B antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2020-08-11 US disclosed
US-10301255-B2 Hepatitis B antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2019-05-28 US disclosed
US-20170022150-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2017-01-26 US disclosed
US-20170022150-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2017-01-26 US disclosed
US-20160332996-A1 Hepatitis B Antiviral Agents ENANTA PHARMACEUTICALS, INC. 2016-11-17 US disclosed
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-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 (6 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-10301255-B2 Hepatitis B antiviral agents HAVCR2, ZC3HAV1, SLC10A1 NPC1 607/4885RAB9A 1332/4885KMT2A 2231/4885
US-20170022150-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, ZC3HAV1, SLC10A1 NPC1 607/4885RAB9A 1332/4885KMT2A 2231/4885
US-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 NPC1 3856/4885RAB9A 3465/4885KMT2A 609/4885
US-10738035-B2 Hepatitis B antiviral agents ZC3HAV1, ZC3HAV1L, HAVCR2 NPC1 472/4885RAB9A 1062/4885KMT2A 2729/4885
US-20090258875-A1 Fungicide Hydroximoyl-Tetrazole Derivatives HAAO, CYP51A1, CYP8B1 NPC1 3571/4885RAB9A 3267/4885KMT2A 519/4885
US-20160332996-A1 Hepatitis B Antiviral Agents ZC3HAV1, ZC3HAV1L, HAVCR2 NPC1 472/4885RAB9A 1062/4885KMT2A 2729/4885

“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.