SCHEMBL6310682

SCHEMBL6310682

C=C(C(=O)N1CCOCC1)c1ccc(Sc2ccccc2[N+](=O)[O-])c(Cl)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
MEN1 O00255 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.41
ITGB2 P05107 2/20 0.41
ICAM1 P05362 2/20 0.41
ITGAL P20701 2/20 0.41
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
RAB9A P51151 1/20 0.39

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
SCHEMBL7641650 0.86 ITGAL (0.43) KMT2AALDH1A1LMNAMEN1SMN1; SMN2
SCHEMBL6309661 0.84 MGLL (0.44) KMT2AALDH1A1LMNAMEN1SMN1; SMN2
SCHEMBL6317025 0.83 ITGAL (0.43) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL6317717 0.83 ITGAL (0.43) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL6568431 0.77 ITGAL (0.68) ALDH1A1LMNASMN1; SMN2L3MBTL1ITGB2
SCHEMBL6310695 0.77 ITGAL (0.68) ALDH1A1LMNASMN1; SMN2L3MBTL1ITGB2
SCHEMBL6919945 0.76 ITGAL (0.48) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL6312040 0.76 ITGAL (0.47) KMT2AALDH1A1LMNAPKMMEN1
SCHEMBL6318620 0.76 ITGAL (0.43) KMT2AALDH1A1LMNAMEN1SMN1; SMN2
SCHEMBL6317609 0.75 ITGAL (0.43) KMT2AALDH1A1LMNAMAPTMEN1

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 6 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 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
EP-1165505-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2004-09-08 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 4094/4885ALDH1A1 484/4885LMNA 2599/4885

“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.