SCHEMBL5152038

SCHEMBL5152038

COc1cc(CC(=O)C(C2CCCN2)N(C)c2ccc(C(=O)O)cc2[N+](=O)[O-])ccc1NC(=O)Nc1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPT P10636 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PYGL P06737 1/20 0.39
▸ ITGA4 P13612 7/20 0.38
▸ HCAR3 P49019 1/20 0.35
▸ ITGB1 P05556 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PDE4D Q08499 1/20 0.35

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
SCHEMBL5149792 0.95 MEN1 (0.41) MEN1RAB9AKMT2AMAPTALDH1A1
SCHEMBL6544086 0.84 PYGL (0.40) MEN1RAB9AKMT2AMAPTALDH1A1
SCHEMBL6543574 0.82 ALDH1A1 (0.41) MEN1RAB9AKMT2AALDH1A1PYGL
SCHEMBL5157221 0.80 ITGA4 (0.48) SMN1; SMN2ITGA4ITGB1
SCHEMBL5152611 0.79 MAPT (0.44) MEN1RAB9AKMT2AMAPTALDH1A1
SCHEMBL5152022 0.78 ITGA4 (0.50) MEN1RAB9AKMT2AMAPTALDH1A1
SCHEMBL14558359 0.78 ITGA4 (0.50) MEN1RAB9AKMT2AMAPTALDH1A1
SCHEMBL5151912 0.75 ITGA4 (0.46) MEN1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL5182974 0.73 ITGA4 (0.42) MEN1RAB9AKMT2AMAPTALDH1A1
SCHEMBL5149772 0.73 ITGA4 (0.48) MEN1RAB9AKMT2AMAPTALDH1A1

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
EP-1189612-A4 VLA-4 INHIBITOR COMPOUNDS DAIICHI SEIYAKU CO (JP) 2005-02-16 — — EP disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 — — US disclosed
EP-1189612-A1 VLA-4 INHIBITOR COMPOUNDS Daiichi Pharmaceutical Co., Ltd. (JP) 2002-03-27 — — EP disclosed
WO-2001000206-A1 VLA-4 INHIBITOR COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-04 — — 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 (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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 MEN1 2953/4885RAB9A 2282/4885KMT2A 1046/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 MEN1 3283/4885RAB9A 1984/4885KMT2A 735/4885

“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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