SCHEMBL4748640

SCHEMBL4748640

CN(N=Cc1ccccc1)c1ccc(C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.50
CYP2A13 Q16696 1/20 0.50
KMT2A Q03164 10/20 0.49
MEN1 O00255 9/20 0.49
MAPT P10636 8/20 0.49
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 7/20 0.48
RELA Q04206 2/20 0.48
LMNA P02545 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
G6PC1 P35575 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 3/20 0.45
ALOX12 P18054 2/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL4896754 1.00 CYP2A6 (0.50) CYP2A6CYP2A13KMT2AMEN1MAPT
SCHEMBL8494526 0.85 MAPT (0.57) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL8494529 0.85 MAPT (0.57) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL28045551 0.82 MEN1 (0.48) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL14254906 0.82 MEN1 (0.55) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL10938038 0.82 MEN1 (0.55) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL10865266 0.82 MEN1 (0.55) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL10531365 0.82 KMT2A (0.62) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL10700900 0.82 KMT2A (0.62) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL28045505 0.81 MEN1 (0.47) KMT2AMEN1MAPTNPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 WO 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 CYP2A6 3480/4885CYP2A13 3749/4885KMT2A 4463/4885

“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.