SCHEMBL4899259

SCHEMBL4899259

O=C(NNc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc(CNCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.60
ALDH1A1 P00352 5/20 0.57
NPC1 O15118 3/20 0.57
LMNA P02545 2/20 0.57
GAA P10253 2/20 0.57
POLB P06746 1/20 0.57
AGTR1 P30556 1/20 0.57
HPGD P15428 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALOX12 P18054 2/20 0.51
HTT P42858 2/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK14 Q16539 1/20 0.50
RAB9A P51151 2/20 0.49

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
SCHEMBL4749020 0.83 HDAC6 (0.66) PTGS2ALDH1A1NPC1LMNAGAA
SCHEMBL4896662 0.81 EPHX2 (0.52) PTGS2ALDH1A1LMNAGAAMAPT
SCHEMBL4893276 0.80 ALDH1A1 (0.66) PTGS2ALDH1A1NPC1LMNAGAA
SCHEMBL4896607 0.79 RAB9A (0.64) PTGS2ALDH1A1NPC1LMNAGAA
SCHEMBL4888218 0.78 HDAC3 (0.56) PTGS2ALDH1A1NPC1LMNAGAA
SCHEMBL7040726 0.77 PTGS2 (1.00) PTGS2ALDH1A1NPC1LMNAGAA
SCHEMBL4893773 0.77 HDAC8 (0.54) PTGS2ALDH1A1NPC1LMNAGAA
SCHEMBL11683179 0.76 MAPT (0.71) PTGS2ALDH1A1NPC1LMNAGAA
SCHEMBL13568997 0.75 HPGD (0.71) NPC1LMNAHPGDHTTSMN1; SMN2
SCHEMBL3690849 0.74 OPRM1 (0.82) ALDH1A1HPGDKMT2ASMN1; SMN2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 PTGS2 604/4885ALDH1A1 1359/4885NPC1 363/4885

“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.