SCHEMBL2636073

SCHEMBL2636073

O=C(COc1cc(C(=O)O)cc2cc(Cl)cc(Cl)c12)NCc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
MAPT P10636 3/20 0.53
HPGD P15428 2/20 0.53
HTT P42858 2/20 0.52
KMT2A Q03164 3/20 0.50
NPC1 O15118 2/20 0.50
ALDH1A1 P00352 2/20 0.49
PKM P14618 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL2635556 0.86 RAB9A (0.59) RAB9AMAPTHPGDHTTKMT2A
SCHEMBL2636139 0.85 ALDH1A1 (0.63) RAB9AMAPTHPGDHTTKMT2A
SCHEMBL2636006 0.84 RAB9A (0.64) RAB9AMAPTHPGDKMT2ANPC1
SCHEMBL2635891 0.83 MRGPRX4 (0.45) RAB9AHPGDHTTKMT2ANPC1
SCHEMBL2636158 0.82 MAPK1 (0.55) RAB9AHPGDHTTKMT2AALDH1A1
SCHEMBL2635113 0.82 ANO1 (0.48) RAB9AHPGDHTTKMT2ANPC1
SCHEMBL14743792 0.82 KMT2A (0.48) RAB9AHPGDHTTKMT2ANPC1
SCHEMBL2635376 0.81 GRM4 (0.47) RAB9AMAPTHPGDKMT2ANPC1
SCHEMBL2635529 0.81 ALDH1A1 (0.56) RAB9AMAPTHTTKMT2ANPC1
SCHEMBL2635188 0.80 HTT (0.51) RAB9AMAPTHPGDHTTKMT2A

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-20120220577-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA 2012-08-30 US claimed
EP-2438037-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2012-04-11 EP claimed
WO-2010139481-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2010-12-09 WO claimed
US-20120220577-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA 2012-08-30 US disclosed
EP-2438037-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2012-04-11 EP disclosed
WO-2010139481-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2010-12-09 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-20120220577-A1 GLYCINE B ANTAGONISTS GLRB, GRIN2B, GLRA2 RAB9A 2053/4885MAPT 1202/4885HPGD 432/4885

“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.