SCHEMBL5155686

SCHEMBL5155686

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.46
▸ KMT2A Q03164 6/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ PYGL P06737 1/20 0.43
▸ MAPT P10636 7/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ GAA P10253 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ HTT P42858 2/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CASP3 P42574 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL5156361 0.95 RAB9A (0.46) MEN1KMT2ARAB9APYGLMAPT
SCHEMBL5149750 0.92 ALDH1A1 (0.43) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL5152070 0.88 PYGL (0.45) MEN1KMT2ARAB9APYGLMAPT
SCHEMBL5150099 0.86 PYGL (0.44) MEN1KMT2ARAB9APYGLMAPT
SCHEMBL5152499 0.86 PYGL (0.43) MEN1KMT2ARAB9APYGLMAPT
SCHEMBL5155691 0.85 KMT2A (0.46) MEN1KMT2ARAB9APYGLMAPT
SCHEMBL5152615 0.83 GAA (0.44) MEN1KMT2ARAB9APYGLMAPT
SCHEMBL5156910 0.82 MAPT (0.49) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL5150020 0.82 PYGL (0.45) MEN1KMT2ARAB9APYGLMAPT
SCHEMBL5157069 0.80 ALDH1A1 (0.46) 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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