SCHEMBL25986000

SCHEMBL25986000

CCOC(=O)c1nn2c(c1Br)CC(C)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.37
ALDH1A1 P00352 5/20 0.37
MAPT P10636 3/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
GABRA1 P14867 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRA6 Q16445 2/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL21315389 0.83 POLB (0.36) ALDH1A1MAPTMAPK1SMN1; SMN2GABRA1
SCHEMBL18365976 0.79 KMT2A (0.45) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL3798240 0.79 PDE3B (0.39) ALDH1A1MAPTMAPK1SMN1; SMN2GABRA1
SCHEMBL3801455 0.77 ALDH1A1 (0.40) ALDH1A1MAPTMAPK1SMN1; SMN2GABRA1
SCHEMBL19299945 0.76 PDE4A (0.41) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL19635706 0.75 ALDH1A1 (0.39) ALDH1A1MAPTMAPK1SMN1; SMN2GABRG2
SCHEMBL26969083 0.74 ALDH1A1 (0.37) ALDH1A1MAPTMAPK1SMN1; SMN2GABRA1
SCHEMBL21315230 0.73 MAPT (0.34) ALDH1A1MAPTMAPK1SMN1; SMN2GABRA1
SCHEMBL31737069 0.73 MAPT (0.34) ALDH1A1MAPTMAPK1SMN1; SMN2GABRA1
SCHEMBL29777592 0.73 DRD3 (0.54) ATMALDH1A1SMN1; SMN2NPSR1CYP1A2

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-11725008-B2 Ethanediamine-heterocycle derivatives as inhibitors of protein arginine methyltransferases BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-08-15 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-11725008-B2 Ethanediamine-heterocycle derivatives as inhibitors of protein arginine methyltransferases PRMT1, PRMT5, PRMT3 ATM 421/4885ALDH1A1 1831/4885MAPT 3106/4885

“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.