SCHEMBL12651397

SCHEMBL12651397

O=Cc1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3cn[nH]c3c1)C2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ MAOB P27338 6/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.40
▸ ACACB O00763 1/20 0.40
▸ ACACA Q13085 1/20 0.40
▸ ITGB2 P05107 3/20 0.40
▸ ICAM1 P05362 3/20 0.40
▸ ITGAL P20701 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ NAMPT P43490 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
SCHEMBL12370119 0.91 PIK3CA (0.44) PIK3CAMAPK14MAOBACACBACACA
SCHEMBL13167800 0.87 PIK3CA (0.47) PIK3CAMAPK14MAOBHDAC6ACACB
SCHEMBL18885627 0.85 HDAC6 (0.46) PIK3CAMAPK14MAOBHDAC6ITGB2
SCHEMBL10156372 0.83 PIK3CA (0.47) PIK3CAMAPK14MAOBHDAC6ACACB
SCHEMBL15498050 0.83 HDAC6 (0.52) PIK3CAMAOBHDAC6ITGB2ICAM1
SCHEMBL13821871 0.80 ITGB2 (0.50) HDAC6ITGB2ICAM1ITGAL
SCHEMBL18867799 0.79 ITGB2 (0.55) ITGB2ICAM1ITGAL
SCHEMBL12060482 0.78 ITGB2 (0.49) ITGB2ICAM1ITGAL
SCHEMBL23176589 0.78 HDAC6 (0.42) HDAC6ITGB2ICAM1ITGAL
SCHEMBL10157546 0.77 ITGB2 (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124625-A1 Modulators of Cellular Adhesion SARCODE CORPORATION (US) 2011-05-26 — — US disclosed
US-7745460-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-06-29 — — US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 — — 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 (2 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-20080176896-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 PIK3CA 4193/4885MAPK14 4200/4885MAOB 1493/4885
US-20110124625-A1 Modulators of Cellular Adhesion ITGB1, VCAM1, ITGB8 PIK3CA 4193/4885MAPK14 4200/4885MAOB 1493/4885

“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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