SCHEMBL4629408

SCHEMBL4629408

N=C(NC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cc(Br)ccc1Br

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 10/20 0.74
P2RX7 Q99572 11/20 0.52
P2RX2 Q9UBL9 5/20 0.49
P2RX5 Q93086 3/20 0.49
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
ALOX12 P18054 1/20 0.40
CNR2 P34972 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL25171689 0.85 P2RX4 (1.00) P2RX4P2RX7P2RX2P2RX5ALDH1A1
SCHEMBL11246611 0.74 KMT2A (0.43) P2RX4ALDH1A1LMNACA12CA9
SCHEMBL4628719 0.73 SMN1; SMN2 (0.53) P2RX4P2RX7ALDH1A1LMNACNR2
SCHEMBL4629412 0.72 P2RX4 (0.56) P2RX4P2RX7P2RX2P2RX5ALDH1A1
SCHEMBL25168562 0.71 P2RX4 (0.74) P2RX4P2RX7P2RX2P2RX5ALDH1A1
SCHEMBL28333322 0.70 CNR2 (0.65) P2RX4P2RX7P2RX2P2RX5ALDH1A1
SCHEMBL25168617 0.69 P2RX7 (1.00) P2RX4P2RX7P2RX2P2RX5ALDH1A1
SCHEMBL11050475 0.69 ALDH1A1 (0.48) P2RX4ALDH1A1LMNAMEN1KMT2A
SCHEMBL4628698 0.68 P2RX7 (0.54) P2RX4P2RX7P2RX2P2RX5ALDH1A1
SCHEMBL4629443 0.68 P2RX7 (0.53) P2RX4P2RX7P2RX2P2RX5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP claimed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US claimed
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP disclosed
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA P2RX4 2333/4885P2RX7 1894/4885P2RX2 1856/4885

“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.