SCHEMBL4521057

SCHEMBL4521057

CC[C@H](N)CNc1nc(-c2cc(F)c(F)cc2O)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 8/20 0.47
KMT2A Q03164 8/20 0.47
MAPT P10636 7/20 0.47
MAPK1 P28482 2/20 0.47
POLB P06746 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ACP1 P24666 1/20 0.47
EGFR P00533 2/20 0.44
GBA1 P04062 2/20 0.43
PIP4K2A P48426 1/20 0.43
HIF1A Q16665 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PDE5A O76074 1/20 0.43
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 3/20 0.42
TSHR P16473 2/20 0.42
CYP2C19 P33261 2/20 0.42

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
SCHEMBL4521050 1.00 LMNA (0.47) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4521061 1.00 LMNA (0.47) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4513018 0.90 ACP1 (0.50) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4513025 0.90 ACP1 (0.50) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4513028 0.90 ACP1 (0.50) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4512925 0.90 ACP1 (0.51) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4512916 0.90 ACP1 (0.51) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4521146 0.89 CHEK2 (0.52) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4521149 0.89 CHEK2 (0.52) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4521155 0.89 CHEK2 (0.52) LMNASMN1; SMN2MEN1KMT2AMAPT

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 LMNA 2132/4885SMN1; SMN2 4800/4885MEN1 4237/4885

“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.