SCHEMBL17547699

SCHEMBL17547699

CC(C)(C)c1cnc(N)c(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
DGAT1 O75907 1/20 0.37
POLB P06746 2/20 0.37
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
DHFR P00374 2/20 0.35
KDM4E B2RXH2 3/20 0.34
MAPT P10636 3/20 0.34
GAA P10253 2/20 0.34
ALOX5AP P20292 1/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
RECQL P46063 1/20 0.32
UHRF1 Q96T88 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL10201441 0.86 MAP3K12 (0.42) HSP90AA1ALOX5AP
SCHEMBL21590041 0.80 KMT2A (0.42) HSP90AA1DGAT1POLBNOS3NOS1
SCHEMBL10202034 0.80 NOS3 (0.58) DGAT1POLBNOS3NOS1NOS2
SCHEMBL16941398 0.78 NOS3 (0.56) POLBNOS3NOS1NOS2DHFR
SCHEMBL16414198 0.78 HSP90AA1 (0.36) HSP90AA1DGAT1DHFR
SCHEMBL23478377 0.77 IDO1 (0.39) NOS3NOS1NOS2DHFRRAB9A
SCHEMBL5560254 0.77 ALOX5AP (0.46) HSP90AA1DGAT1POLBNOS3NOS1
SCHEMBL31358204 0.77 HTT (0.54) HSP90AA1DGAT1POLBNOS3NOS1
SCHEMBL15181426 0.77 ALDH1A1 (0.39) DGAT1POLBNOS3NOS1NOS2
SCHEMBL14803502 0.77 ALOX5AP (0.36) NOS3NOS1NOS2DHFRALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160058751-A1 COMPOSITION AND METHOD FOR TREATING CANCER CELLWORKS GROUP, INC. (US) 2016-03-03 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-20160058751-A1 COMPOSITION AND METHOD FOR TREATING CANCER KRAS, NRAS, TP53 HSP90AA1 2368/4885DGAT1 1704/4885POLB 180/4885

“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.