SCHEMBL5149792

SCHEMBL5149792

COC(=O)c1ccc(N(C)C(C(=O)Cc2ccc(NC(=O)Nc3ccccc3F)c(OC)c2)C2CCCN2)c([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ PYGL P06737 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPT P10636 5/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ PDE4D Q08499 1/20 0.35
▸ PDE5A O76074 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ AR P10275 1/20 0.34
▸ PELP1 Q8IZL8 1/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ ITGA4 P13612 1/20 0.34

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
SCHEMBL5152038 0.95 MEN1 (0.41) MEN1KMT2ARAB9APYGLMAPT
SCHEMBL6544086 0.90 PYGL (0.40) MEN1KMT2ARAB9APYGLKDM4E
SCHEMBL5151912 0.80 ITGA4 (0.46) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL5182974 0.79 ITGA4 (0.42) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL5149772 0.78 ITGA4 (0.48) MEN1KMT2ARAB9APYGLKDM4E
SCHEMBL6543574 0.77 ALDH1A1 (0.41) MEN1KMT2ARAB9APYGLKDM4E
SCHEMBL5157221 0.75 ITGA4 (0.48) SMN1; SMN2CHEK1ITGA4
SCHEMBL5152611 0.73 MAPT (0.44) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL5155691 0.73 KMT2A (0.46) MEN1KMT2ARAB9APYGLKDM4E
SCHEMBL5152022 0.73 ITGA4 (0.50) MEN1KMT2ARAB9APYGLMAPT

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 5 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
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 (3 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 MEN1 2953/4885KMT2A 1046/4885RAB9A 2282/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 MEN1 3283/4885KMT2A 735/4885RAB9A 1984/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 MEN1 3022/4885KMT2A 918/4885RAB9A 2225/4885

“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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