SCHEMBL2308610

SCHEMBL2308610

O=C(O)c1cc2cc(Cl)ccc2nc1N[C@H](CO)Cc1c[nH]c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 4/20 0.48
ICAM1 P05362 4/20 0.48
ITGAL P20701 4/20 0.48
CDK2 P24941 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
PPARG P37231 1/20 0.42
PTGS1 P23219 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
TP53 P04637 1/20 0.41
BCHE P06276 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
SCHEMBL2309213 0.88 ITGB2 (0.58) ITGB2ICAM1ITGALCDK2MEN1
SCHEMBL2312723 0.88 ITGB2 (0.58) ITGB2ICAM1ITGALCDK2MEN1
SCHEMBL2310615 0.82 KDM4E (0.49) MEN1KMT2AMAPTPOLBKDM4E
SCHEMBL2309935 0.82 KDM4E (0.49) MEN1KMT2AMAPTPOLBKDM4E
SCHEMBL2358959 0.82 KDM4E (0.49) MEN1KMT2AMAPTPOLBKDM4E
SCHEMBL2311667 0.78 KMT2A (0.55) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL2309672 0.77 KMT2A (0.55) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL2311993 0.77 ITGB2 (0.47) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL2310201 0.77 ITGB2 (0.44) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL2312170 0.77 ITGB2 (0.47) ITGB2ICAM1ITGALMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288549-B2 Glycine B antagonist MERZ PHARMA GMBH & CO. KGAA (DE) 2012-10-16 US claimed
US-20110190342-A1 GLYCINE B ANTAGONIST HENRICH MARKUS 2011-08-04 US claimed
US-8288549-B2 Glycine B antagonist MERZ PHARMA GMBH & CO. KGAA (DE) 2012-10-16 US disclosed
US-20110190342-A1 GLYCINE B ANTAGONIST HENRICH MARKUS 2011-08-04 US disclosed
EP-2350014-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2011-08-03 EP disclosed
WO-2010037533-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA (DE) 2010-04-08 WO 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-20110190342-A1 GLYCINE B ANTAGONIST GRIN2B, GLRB, GRIN2A ITGB2 4562/4885ICAM1 4431/4885ITGAL 4617/4885

“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.