SCHEMBL15041796

SCHEMBL15041796

CC1Oc2ccccc2N(C)C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 2/20 0.38
PAX8 Q06710 1/20 0.38
MCL1 Q07820 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
NSD2 O96028 1/20 0.37
APP P05067 1/20 0.37
HPGD P15428 1/20 0.37
SNCA P37840 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 2/20 0.35
HTT P42858 1/20 0.35
PARP1 P09874 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NISCH Q9Y2I1 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL15035233 0.77 P2RX4 (0.36) ALDH1A1GAAL3MBTL1LMNAPAX8
SCHEMBL6321054 0.69 GPR3 (0.42) ALDH1A1GAAL3MBTL1LMNAPAX8
SCHEMBL20027221 0.67 GPR3 (0.39) ALDH1A1GAAL3MBTL1KDM4EHPGD
SCHEMBL16728888 0.67 GPR3 (0.39) ALDH1A1GAAL3MBTL1KDM4EHPGD
SCHEMBL14421158 0.67 GAA (0.39) ALDH1A1GAAL3MBTL1LMNAPAX8
SCHEMBL15253494 0.65 AKR1B1 (0.38) LMNAPARP1
SCHEMBL13783751 0.65 LMNA (0.44) ALDH1A1LMNAMAPTHPGDHTT
SCHEMBL17174805 0.65 LMNA (0.38) ALDH1A1GAAL3MBTL1LMNAPAX8
SCHEMBL15954645 0.64 LMNA (0.33) LMNA
SCHEMBL17843589 0.64 PTPN1 (0.45) ALDH1A1GAAL3MBTL1LMNAPAX8

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-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 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-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 ALDH1A1 2622/4885GAA 2692/4885L3MBTL1 2465/4885

“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.