SCHEMBL4598138

SCHEMBL4598138

COC(=O)c1ccc(Sc2ccc(CBr)cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.43
CYP4A11 Q02928 3/20 0.41
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP4F2 P78329 2/20 0.40
MAPK1 P28482 1/20 0.40
BRAF P15056 2/20 0.40
KDR P35968 1/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
P2RX3 P56373 1/20 0.39
NPC1 O15118 3/20 0.39

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
SCHEMBL30474744 0.81 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTCYP1A2MAPK1
SCHEMBL25249488 0.81 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTCYP1A2MAPK1
SCHEMBL4598056 0.81 TDP1 (0.54) ALDH1A1KMT2AMAPTCYP1A2MAPK1
SCHEMBL4598186 0.80 ALDH1A1 (0.58) PKMALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL30474819 0.80 MAPT (0.51) ALDH1A1KMT2AMAPTMAPK1BRAF
SCHEMBL26169590 0.80 CA1 (0.56) ALDH1A1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL25222444 0.80 MAPT (0.51) ALDH1A1KMT2AMAPTMAPK1BRAF
SCHEMBL4598095 0.77 MAPK1 (0.54) PKMLOXL2KMT2ACYP4A11MAPT
SCHEMBL8806506 0.76 MAPK1 (0.54) PKMALDH1A1KMT2AMAPTCYP1A2
SCHEMBL33494 0.76 LOXL2 (0.66) LOXL2ALDH1A1KMT2ACYP4A11MAPT

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-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
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US 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
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 PKM 3901/4885LOXL2 3510/4885ALDH1A1 3484/4885

“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.