SCHEMBL4171756

SCHEMBL4171756

CC(C)(C)[C@@](C)(NC(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
POLB P06746 2/20 0.47
TDP1 Q9NUW8 1/20 0.44
HSD17B10 Q99714 2/20 0.44
ACHE P22303 1/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 2/20 0.44
MAPK1 P28482 2/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
MITF O75030 1/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HSD11B1 P28845 1/20 0.42
CES1 P23141 2/20 0.42
CES2 O00748 1/20 0.41
SRD5A2 P31213 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL529763 0.83 ALDH1A1 (0.49) ALDH1A1POLBTDP1HSD17B10ACHE
SCHEMBL3530264 0.74 TDP1 (0.52) ALDH1A1POLBTDP1HSD17B10ACHE
SCHEMBL1646651 0.74 TDP1 (0.52) ALDH1A1POLBTDP1HSD17B10ACHE
SCHEMBL7912766 0.74 TDP1 (0.52) ALDH1A1POLBTDP1HSD17B10ACHE
SCHEMBL2817102 0.73 MAPK1 (0.50) ALDH1A1POLBTDP1HPGDHTT
SCHEMBL396136 0.73 ALDH1A1 (0.49) ALDH1A1POLBTDP1HSD17B10ACHE
SCHEMBL27515138 0.73 ALDH1A1 (0.54) ALDH1A1POLBTDP1HSD17B10ACHE
SCHEMBL4060805 0.73 HSD11B1 (0.50) ALDH1A1POLBTDP1HSD17B10ACHE
SCHEMBL6778570 0.72 MEN1 (0.53) ALDH1A1POLBTDP1HTTMAPK1
SCHEMBL8896022 0.72 ALDH1A1 (0.42) ALDH1A1TDP1HPGDMEN1KMT2A

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-20090004185-A1 AMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF BETA-CATENIN/TCF-4 PATHWAY AND CANCER TREATMENT AGENTS WYETH (US) 2009-01-01 US disclosed
WO-2008086462-A2 AMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF β-CANTENIN/TCF-4 PATHWAY AND CANCER TREATMENT AGENTS WYETH (US) 2008-07-17 WO 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-20090004185-A1 AMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF BETA-CATENIN/TCF-4 PATHWAY AND CANCER TREATMENT AGENTS TCF4, CTNNB1, TCF7 ALDH1A1 2808/4885POLB 1983/4885TDP1 3176/4885

“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.