SCHEMBL6199302

SCHEMBL6199302

C=C(C(=O)N1CCC(C(=O)O)CC1)c1ccc(Sc2ccc3c(c2)CCOO3)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ITGAL P20701 8/20 0.38
ITGB2 P05107 5/20 0.38
ICAM1 P05362 5/20 0.38
MAPT P10636 4/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.34
RAB9A P51151 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
SCHEMBL27475308 0.89 KMT2A (0.51) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL27524478 0.88 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1L3MBTL1ITGAL
SCHEMBL6199372 0.88 ITGAL (0.49) KMT2AMEN1ALDH1A1L3MBTL1ITGAL
SCHEMBL6200015 0.87 MEN1 (0.42) KMT2AMEN1ALDH1A1L3MBTL1ITGAL
SCHEMBL6199134 0.86 MEN1 (0.40) KMT2AMEN1ALDH1A1L3MBTL1ITGAL
SCHEMBL6196887 0.85 ITGAL (0.50) ALDH1A1ITGALITGB2ICAM1KDM4E
SCHEMBL6200170 0.84 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1L3MBTL1ITGAL
SCHEMBL27473977 0.83 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1L3MBTL1ITGAL
SCHEMBL27491653 0.82 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6195217 0.80 ITGAL (0.48) ALDH1A1ITGALITGB2ICAM1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2005-11-10 US claimed
EP-1140814-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2005-05-25 EP claimed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US claimed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US claimed
US-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2005-11-10 US disclosed
EP-1140814-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2005-05-25 EP disclosed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US disclosed
US-6867203-B2 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-03-15 US disclosed
EP-1481968-A2 Cell adhesion-inhibiting anti-inflammatory and immune-suppressive compounds Abbott Laboratories (US) 2004-12-01 EP disclosed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 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-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ICAM1, VCAM1, EPCAM KMT2A 4094/4885MEN1 2594/4885ALDH1A1 484/4885

“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.