SCHEMBL4514616

SCHEMBL4514616

CC[C@H](N)CNc1nc(-c2cc(-c3ccccc3)ccc2O)nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PRKD3 O94806 2/20 0.47
PRKD1 Q15139 2/20 0.47
PRKD2 Q9BZL6 2/20 0.47
EGFR P00533 4/20 0.47
PDE5A O76074 1/20 0.46
TLR9 Q9NR96 1/20 0.45
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A1 P04798 2/20 0.44
CYP1A2 P05177 2/20 0.44
HIF1A Q16665 1/20 0.43
CHEK1 O14757 1/20 0.43
CHEK2 O96017 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL4514611 1.00 ACP1 (0.51) ACP1MEN1KMT2ARXFP1PRKD3
SCHEMBL8227557 1.00 ACP1 (0.51) ACP1MEN1KMT2ARXFP1PRKD3
SCHEMBL4514622 1.00 ACP1 (0.51) ACP1MEN1KMT2ARXFP1PRKD3
SCHEMBL8229988 0.98 ACP1 (0.49) ACP1MEN1KMT2ARXFP1PRKD3
SCHEMBL4508004 0.96 MEN1 (0.47) ACP1MEN1KMT2ARXFP1PRKD3
SCHEMBL4508012 0.96 MEN1 (0.47) ACP1MEN1KMT2ARXFP1PRKD3
SCHEMBL4508015 0.96 MEN1 (0.47) ACP1MEN1KMT2ARXFP1PRKD3
SCHEMBL4503920 0.95 SLC6A3 (0.46) ACP1MEN1KMT2ARXFP1PRKD3
SCHEMBL4503925 0.95 SLC6A3 (0.46) ACP1MEN1KMT2ARXFP1PRKD3
SCHEMBL4511786 0.95 MEN1 (0.46) ACP1MEN1KMT2ARXFP1PRKD3

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-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 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-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE PKD2, PKD1, AADAT ACP1 282/4885MEN1 4237/4885KMT2A 230/4885

“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.