SCHEMBL4514830

SCHEMBL4514830

CCC(N)CNc1nc(-c2cc(-c3ccccc3F)ccc2O)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 8/20 0.47
KMT2A Q03164 8/20 0.47
RXFP1 Q9HBX9 1/20 0.47
GBA1 P04062 1/20 0.45
USP1 O94782 1/20 0.45
WDR48 Q8TAF3 1/20 0.45
ALDH1A1 P00352 2/20 0.45
ACP1 P24666 1/20 0.44
EGFR P00533 2/20 0.43
GAA P10253 1/20 0.43
GPR35 Q9HC97 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
HIF1A Q16665 1/20 0.42
CHEK1 O14757 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
SCHEMBL4514821 1.00 MAPT (0.49) MAPTSMN1; SMN2LMNAPOLBMAPK1
SCHEMBL4514828 1.00 MAPT (0.49) MAPTSMN1; SMN2LMNAPOLBMAPK1
SCHEMBL4511291 0.92 CHEK2 (0.45) MAPTSMN1; SMN2LMNAPOLBMAPK1
SCHEMBL4511294 0.92 CHEK2 (0.45) MAPTSMN1; SMN2LMNAPOLBMAPK1
SCHEMBL4511284 0.92 CHEK2 (0.45) MAPTSMN1; SMN2LMNAPOLBMAPK1
SCHEMBL13673995 0.91 MEN1 (0.49) MAPTMAPK1MEN1KMT2ARXFP1
SCHEMBL4511790 0.90 MEN1 (0.46) MAPTLMNAMEN1KMT2ARXFP1
SCHEMBL4511784 0.90 MEN1 (0.46) MAPTLMNAMEN1KMT2ARXFP1
SCHEMBL4511786 0.90 MEN1 (0.46) MAPTLMNAMEN1KMT2ARXFP1
SCHEMBL4521644 0.89 MEN1 (0.47) MAPTMEN1KMT2ARXFP1GBA1

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 MAPT 4490/4885SMN1; SMN2 4800/4885LMNA 2132/4885

“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.