SCHEMBL4596726

SCHEMBL4596726

C=Cc1cnc(Sc2ccc(C(=O)OC)cc2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 6/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
KDM4E B2RXH2 4/20 0.42
HPGD P15428 3/20 0.42
MAPK1 P28482 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
LMNA P02545 2/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 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
SCHEMBL4597494 0.87 ALDH1A1 (0.57) ALDH1A1KMT2AMAPTLOXL2KDM4E
SCHEMBL4597152 0.81 MAPK1 (0.45) ALDH1A1KMT2AMAPTLOXL2KDM4E
SCHEMBL18355566 0.79 MAPT (0.54) ALDH1A1KMT2AMAPTLOXL2KDM4E
SCHEMBL4598148 0.76 MEN1 (0.54) ALDH1A1KMT2AMAPTKDM4EHPGD
SCHEMBL4597971 0.76 MAPT (0.51) ALDH1A1KMT2AMAPTMAPK1L3MBTL1
SCHEMBL181754 0.75 ALDH1A1 (0.68) ALDH1A1MAPTLOXL2KDM4ELMNA
SCHEMBL6575703 0.75 CA1 (0.61) ALDH1A1KMT2AMAPTLOXL2KDM4E
SCHEMBL4598541 0.74 ALDH1A1 (0.44) ALDH1A1KMT2AMAPTLOXL2KDM4E
SCHEMBL4598186 0.74 ALDH1A1 (0.58) ALDH1A1KMT2AMAPTKDM4EHPGD
Methoxymethane SCHEMBL28654566 0.73 ALDH1A1 (0.66) ALDH1A1MAPTLOXL2KDM4ELMNA

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 ALDH1A1 3484/4885KMT2A 4627/4885MAPT 3432/4885

“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.