SCHEMBL5150189

SCHEMBL5150189

COC(=O)c1ccc(OC(C2CCCN2)N(C(C)=O)c2ccc(NC(=O)Nc3ccccc3O)c(OC)c2)c(N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MAPT P10636 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HPGD P15428 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PYGL P06737 1/20 0.35
▸ LPAR1 Q92633 3/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ ERAP2 Q6P179 2/20 0.34
▸ LNPEP Q9UIQ6 2/20 0.34
▸ PDE5A O76074 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6543079 0.94 RAB9A (0.38) MEN1KMT2ARAB9APYGLLPAR1
SCHEMBL6207924 0.81 ITGA4 (0.37) MEN1KMT2AMAPTRAB9AHPGD
SCHEMBL5154861 0.79 MAPT (0.41) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL6209429 0.75 ITGA4 (0.41) RAB9APYGLKDM4EGAA
SCHEMBL6544086 0.69 PYGL (0.40) MEN1KMT2AMAPTRAB9APYGL
SCHEMBL5157180 0.68 ITGA4 (0.39) MEN1KMT2AMAPTRAB9APYGL
SCHEMBL5151912 0.67 ITGA4 (0.46) MEN1KMT2AMAPTRAB9AHPGD
SCHEMBL5150177 0.66 ITGA4 (0.42) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL5153126 0.63 ITGA4 (0.48) MEN1KMT2AMAPTRAB9AHPGD
SCHEMBL5150075 0.62 ITGA4 (0.48) MEN1KMT2AMAPTRAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 — — US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 — — US disclosed
US-20040229858-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 — — US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 MEN1 3283/4885KMT2A 735/4885MAPT 3296/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 MEN1 3022/4885KMT2A 918/4885MAPT 3414/4885

“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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