SCHEMBL6807420

SCHEMBL6807420

CNC1(c2ccccc2)CCN(C(=O)NC(Cc2c[nH]c(=O)nc2NC(=O)c2c(C)cccc2C)C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 4/20 0.43
ICAM1 P05362 4/20 0.43
ITGAL P20701 4/20 0.43
TACR2 P21452 7/20 0.41
TACR1 P25103 6/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 3/20 0.34
ITGB1 P05556 2/20 0.34
ITGA4 P13612 1/20 0.34
TP53 P04637 1/20 0.34
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL6812241 0.93 TACR2 (0.50) ITGB2ICAM1ITGALTACR2TACR1
SCHEMBL6807866 0.93 ITGB2 (0.42) ITGB2ICAM1ITGALTACR2TACR1
SCHEMBL6802798 0.92 ITGB1 (0.41) ITGB2ICAM1ITGALTACR2TACR1
SCHEMBL6807517 0.91 ITGB2 (0.41) ITGB2ICAM1ITGALTACR2TACR1
SCHEMBL6801579 0.90 TACR2 (0.41) ITGB2ICAM1ITGALTACR2TACR1
SCHEMBL6806810 0.90 ITGB2 (0.40) ITGB2ICAM1ITGALTACR2TACR1
SCHEMBL6812412 0.90 TACR2 (0.40) ITGB2ICAM1ITGALTACR2TACR1
SCHEMBL6807651 0.90 TACR2 (0.42) ITGB2ICAM1ITGALTACR2TACR1
SCHEMBL6803160 0.87 ITGB2 (0.48) ITGB2ICAM1ITGALL3MBTL1POLB
SCHEMBL6812112 0.86 ITGB2 (0.47) ITGB2ICAM1ITGALL3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient TORAY INDUSTRIES, INC. (JP) 2004-02-26 US disclosed
EP-1323709-A1 UREA DERIVATIVE AND ADHESIVE-MOLECULE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2003-07-02 EP 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-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient ICAM1, VCAM1, EPCAM ITGB2 59/4885ICAM1 1/4885ITGAL 174/4885

“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.