SCHEMBL6410178

SCHEMBL6410178

C=C(C(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(Sc2ccccc2OC)c(Cl)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 8/20 0.48
HPGD P15428 1/20 0.48
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
ITGB2 P05107 1/20 0.45
ICAM1 P05362 1/20 0.45
ITGAL P20701 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALOX12 P18054 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL6312229 0.84 ITGAL (0.49) KMT2AALDH1A1HPGDITGB2ICAM1
SCHEMBL6196144 0.82 ITGAL (0.46) MEN1KMT2AALDH1A1ITGB2ICAM1
SCHEMBL6199467 0.82 ITGAL (0.48) ITGB2ICAM1ITGAL
SCHEMBL6199010 0.80 ITGAL (0.64) MEN1KMT2AITGB2ICAM1ITGAL
SCHEMBL6410181 0.80 ITGAL (0.73) MEN1KMT2AALDH1A1ABL1RIN1
SCHEMBL6199827 0.78 ITGAL (0.45) ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL6308779 0.78 ITGAL (0.49) MEN1KMT2AALDH1A1ITGB2ICAM1
SCHEMBL6318679 0.76 HTR2C (0.43) ITGB2ICAM1ITGAL
SCHEMBL6197119 0.76 ITGAL (0.42) KMT2AALDH1A1ITGB2ICAM1ITGAL
SCHEMBL6199566 0.74 ITGAL (0.51) ALDH1A1ITGB2ICAM1ITGALTSHR

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 1 patent. 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

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 MEN1 2594/4885KMT2A 4094/4885ALDH1A1 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.