SCHEMBL4512671

SCHEMBL4512671

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.48
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
RXFP1 Q9HBX9 1/20 0.46
EGFR P00533 5/20 0.45
MAPT P10636 6/20 0.44
PIP4K2A P48426 1/20 0.42
CHEK2 O96017 2/20 0.42
HIF1A Q16665 2/20 0.41
POLB P06746 2/20 0.41
GAA P10253 2/20 0.41
NTRK1 P04629 1/20 0.41
ALK Q9UM73 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
PKM P14618 1/20 0.41
TLR7 Q9NYK1 1/20 0.39
LMNA P02545 2/20 0.39
HCRTR1 O43613 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL4512675 1.00 ACP1 (0.48) ACP1MEN1KMT2ARXFP1EGFR
SCHEMBL4512662 1.00 ACP1 (0.48) ACP1MEN1KMT2ARXFP1EGFR
SCHEMBL4503522 0.92 ACP1 (0.50) ACP1MEN1KMT2ARXFP1EGFR
SCHEMBL4503530 0.92 ACP1 (0.50) ACP1MEN1KMT2ARXFP1EGFR
SCHEMBL4503519 0.92 ACP1 (0.50) ACP1MEN1KMT2ARXFP1EGFR
SCHEMBL8228842 0.91 MEN1 (0.48) ACP1MEN1KMT2ARXFP1EGFR
SCHEMBL4507649 0.90 MEN1 (0.49) ACP1MEN1KMT2ARXFP1EGFR
SCHEMBL4507644 0.90 MEN1 (0.49) ACP1MEN1KMT2ARXFP1EGFR
SCHEMBL4521721 0.89 CHEK2 (0.51) ACP1MEN1KMT2ARXFP1EGFR
SCHEMBL4521712 0.89 CHEK2 (0.51) ACP1MEN1KMT2ARXFP1EGFR

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.