SCHEMBL4629412

SCHEMBL4629412

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 8/20 0.56
P2RX7 Q99572 11/20 0.48
P2RX5 Q93086 3/20 0.43
P2RX2 Q9UBL9 3/20 0.43
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
CRHBP P24387 1/20 0.37
HTT P42858 1/20 0.37
CRHR2 Q13324 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 2/20 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
SCHEMBL4628728 0.73 SCN2A (0.52) P2RX4P2RX7ALDH1A1LMNAALOX12
SCHEMBL25171689 0.72 P2RX4 (1.00) P2RX4P2RX7P2RX5P2RX2ALDH1A1
SCHEMBL4629408 0.72 P2RX4 (0.74) P2RX4P2RX7P2RX5P2RX2ALDH1A1
SCHEMBL4629447 0.69 SCN5A (0.52) P2RX4P2RX7P2RX5P2RX2ALDH1A1
SCHEMBL4628704 0.69 MEN1 (0.49) P2RX4P2RX7P2RX5P2RX2ALDH1A1
SCHEMBL4628470 0.68 SCN2A (0.55)
SCHEMBL11877875 0.65 PLAU (0.50)
SCHEMBL25168617 0.65 P2RX7 (1.00) P2RX4P2RX7P2RX5P2RX2ALDH1A1
SCHEMBL25168562 0.65 P2RX4 (0.74) P2RX4P2RX7P2RX5P2RX2ALDH1A1
SCHEMBL6719600 0.65 SIGMAR1 (0.54) ALDH1A1LMNA

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 1894/4885P2RX5 1557/4885

“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.