SCHEMBL6543559

SCHEMBL6543559

COc1cccc(CC(=O)O)c1NC(=O)Nc1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ HTT P42858 2/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ CXCL8 P10145 2/20 0.51
▸ RAB9A P51151 5/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ NPC1 O15118 4/20 0.50
▸ PKM P14618 2/20 0.50
▸ NFKB1 P19838 2/20 0.50
▸ NFKB2 Q00653 2/20 0.50
▸ RELA Q04206 2/20 0.50
▸ LPAR1 Q92633 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL5350823 0.87 PTGS2 (0.53) KMT2AMEN1MAPTRAB9ASMN1; SMN2
SCHEMBL7079595 0.84 HIF1A (0.60) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL5152156 0.77 KMT2A (0.56) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL6542890 0.76 MEN1 (0.46) KMT2AMEN1MAPTHTTKDM4E
Syringol SCHEMBL28068397 0.74 CXCL8 (0.57) MAPTKDM4ECXCL8SMN1; SMN2LPAR1
SCHEMBL5273139 0.74 NR3C2 (0.45) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL11090892 0.72 KMT2A (0.64) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL3234088 0.72 CXCL8 (0.53) KMT2AMEN1CXCL8RAB9ASMN1; SMN2
SCHEMBL7166678 0.71 CXCL8 (0.69) CXCL8
SCHEMBL29431297 0.71 HSD17B10 (0.61) KMT2AMEN1MAPTCXCL8RAB9A

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-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 — — US disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 — — 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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 KMT2A 1046/4885MEN1 2953/4885MAPT 3229/4885

“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.

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