SCHEMBL4596641

SCHEMBL4596641

Cc1cc(Sc2ccc(C=O)c(C)n2)ccc1Br

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
F2 P00734 1/20 0.33
NOTUM Q6P988 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
PRKDC P78527 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MPI P34949 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5572439 0.80 ALDH1A1 (0.40) MAPTTP53ALDH1A1KDM4EMEN1
SCHEMBL5575494 0.77 NPC1 (0.37) MAPTTP53NOTUMALDH1A1SMN1; SMN2
SCHEMBL4597623 0.77 RXFP1 (0.38) MAPTCYP1A2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4598728 0.76 MEN1 (0.33) MAPTTP53F2MEN1KMT2A
SCHEMBL4597739 0.74 ERN1 (0.36) MAPTF2NOTUMCYP1A2CYP3A4
SCHEMBL4598335 0.74
SCHEMBL4597190 0.74 HAO1 (0.44) MAPTCYP1A2CYP2C19ALDH1A1
SCHEMBL4596513 0.72 MAOA (0.44) MAPTTP53CYP1A2CYP3A4CYP2C19
SCHEMBL4596529 0.72 TYMS (0.44) CYP1A2CYP2C19ALDH1A1KDM4ESMN1; SMN2
SCHEMBL10595472 0.72 ALDH1A1 (0.40) MAPTCYP1A2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 MAPT 3432/4885TP53 2854/4885F2 4707/4885

“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.