SCHEMBL6909115

SCHEMBL6909115

Nc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 7/20 0.56
ITGA4 P13612 7/20 0.56
KMT2A Q03164 3/20 0.53
POLB P06746 2/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 2/20 0.53
PKM P14618 1/20 0.53
APEX1 P27695 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
JAK2 O60674 3/20 0.53
TYK2 P29597 3/20 0.53
JAK1 P23458 2/20 0.53
CYP3A4 P08684 1/20 0.53
CRACR2A Q9BSW2 2/20 0.49
MAPT P10636 3/20 0.49
RAB9A P51151 1/20 0.48
GFER P55789 1/20 0.47
NR1H4 Q96RI1 1/20 0.46
PRMT1 Q99873 1/20 0.46

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
SCHEMBL8268504 0.83 ITGB1 (0.56) ITGB1ITGA4KMT2AJAK2TYK2
SCHEMBL8258392 0.83 RAB9A (0.56) ITGB1ITGA4KMT2APOLBMEN1
SCHEMBL678659 0.83 KMT2A (0.67) ITGB1ITGA4KMT2APOLBMEN1
SCHEMBL8269199 0.83 TYK2 (0.60) ITGB1ITGA4POLBLMNAJAK2
SCHEMBL3514566 0.83 TYK2 (0.75) ITGB1ITGA4KMT2AMEN1JAK2
SCHEMBL4063160 0.81 ITGB1 (0.64) ITGB1ITGA4JAK2TYK2JAK1
SCHEMBL4063435 0.81 ITGB1 (0.55) ITGB1ITGA4KMT2AJAK2TYK2
SCHEMBL15091418 0.80 KMT2A (0.62) KMT2APOLBMEN1LMNAPKM
SCHEMBL6514115 0.76 ITGB1 (0.65) ITGB1ITGA4NR1H4
SCHEMBL6514112 0.76 ITGB1 (0.58) ITGB1ITGA4JAK2TYK2JAK1

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-20040102478-A1 Substituted n-arylsulfonyl-proline derivatives as potent cell adhesion inhibitors MERCK & CO., INC. 2004-05-27 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-20040102478-A1 Substituted n-arylsulfonyl-proline derivatives as potent cell adhesion inhibitors VCAM1, CD4, ICAM1 ITGB1 28/4885ITGA4 4/4885KMT2A 1121/4885

“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.