SCHEMBL16689136

SCHEMBL16689136

CCC(C)(C)C1CCc2c(sc(NC(=O)c3cnccn3)c2C#N)C1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.66
MAPT P10636 6/20 0.65
NPSR1 Q6W5P4 3/20 0.65
SAE1 Q9UBE0 1/20 0.65
UBA2 Q9UBT2 1/20 0.65
ALDH1A1 P00352 9/20 0.63
HPGD P15428 8/20 0.63
SMN1; SMN2 Q16637 7/20 0.63
KDM4E B2RXH2 6/20 0.63
POLB P06746 5/20 0.63
LMNA P02545 4/20 0.63
RAB9A P51151 3/20 0.63
TDP1 Q9NUW8 1/20 0.63
HSD17B10 Q99714 2/20 0.58
THRB P10828 1/20 0.52
HTT P42858 2/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 2/20 0.49
USP2 O75604 1/20 0.48

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
SCHEMBL8288556 0.85 MAPT (0.69) GCGRMAPTNPSR1SAE1UBA2
SCHEMBL16689174 0.84 ALDH1A1 (0.71) MAPTNPSR1ALDH1A1HPGDSMN1; SMN2
SCHEMBL2649274 0.80 GCGR (0.76) GCGRMAPTNPSR1SAE1UBA2
SCHEMBL2647850 0.80 GCGR (1.00) GCGRMAPTNPSR1SAE1UBA2
SCHEMBL2648864 0.79 GCGR (0.74) GCGRMAPTNPSR1SAE1UBA2
SCHEMBL2647883 0.78 GCGR (0.73) GCGRMAPTNPSR1SAE1UBA2
SCHEMBL3282241 0.78 MAPT (0.71) GCGRMAPTNPSR1SAE1UBA2
SCHEMBL15281386 0.78 ALDH1A1 (1.00) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL2649360 0.78 GCGR (0.72) GCGRMAPTNPSR1SAE1UBA2
SCHEMBL2648262 0.78 GCGR (0.72) GCGRMAPTNPSR1SAE1UBA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305899-A1 ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF HUTCHINSON FRED CANCER RES (US) 2017-10-26 US disclosed
US-20170305899-A1 ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF HUTCHINSON FRED CANCER RES (US) 2017-10-26 US disclosed
US-20150126519-A1 ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-05-07 US disclosed
US-20150126519-A1 ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-05-07 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 (2 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-20170305899-A1 ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF BLM, DNA2, DCLRE1B GCGR 4615/4885MAPT 3731/4885NPSR1 4878/4885
US-20150126519-A1 ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF BLM, DNA2, DCLRE1B GCGR 4615/4885MAPT 3731/4885NPSR1 4878/4885

“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.