SCHEMBL18885627

SCHEMBL18885627

NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3cn[nH]c3c1)C2

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.46
▸ ITGB2 P05107 13/20 0.45
▸ ICAM1 P05362 13/20 0.45
▸ ITGAL P20701 13/20 0.45
▸ PIK3CA P42336 2/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ MAOB P27338 1/20 0.41

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
SCHEMBL15498050 0.88 HDAC6 (0.52) HDAC6ITGB2ICAM1ITGALPIK3CA
SCHEMBL13167800 0.87 PIK3CA (0.47) HDAC6ITGB2ICAM1ITGALPIK3CA
SCHEMBL13666028 0.85 MAPK14 (0.53) HDAC6ITGB2ICAM1ITGALMAPK14
SCHEMBL13821871 0.85 ITGB2 (0.50) HDAC6ITGB2ICAM1ITGAL
SCHEMBL12651397 0.85 PIK3CA (0.43) HDAC6ITGB2ICAM1ITGALPIK3CA
SCHEMBL10156372 0.83 PIK3CA (0.47) HDAC6ITGB2ICAM1ITGALPIK3CA
SCHEMBL879401 0.83 ITGB2 (0.63) ITGB2ICAM1ITGAL
SCHEMBL10157546 0.82 ITGB2 (0.49) ITGB2ICAM1ITGAL
SCHEMBL21004187 0.81 ITGB2 (0.56) ITGB2ICAM1ITGAL
SCHEMBL10130071 0.81 ITGB2 (0.55) ITGB2ICAM1ITGAL

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-20170143693-A1 COMPOSITIONS AND METHODS FOR TREATMENT SARCODE BIOSCIENCE INC. (US) 2017-05-25 — — 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-20170143693-A1 COMPOSITIONS AND METHODS FOR TREATMENT ICAM1, VCAM1, ITGAL HDAC6 1250/4885ITGB2 8/4885ICAM1 1/4885

“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.

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