SCHEMBL196069

SCHEMBL196069

O=C(Nc1cc(Nc2ccc(Cl)c(Cl)c2)nc2ccccc12)c1ccco1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.59
NPC1 O15118 6/20 0.59
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
MAPT P10636 8/20 0.53
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 4/20 0.53
LMNA P02545 4/20 0.53
POLB P06746 2/20 0.53
KMT2A Q03164 7/20 0.49
MEN1 O00255 5/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPK8 P45983 1/20 0.48
MAPK10 P53779 1/20 0.48
ADORA3 P0DMS8 1/20 0.48

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
SCHEMBL196747 0.90 RAB9A (0.48) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL197210 0.88 MAPK8 (0.58) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL936460 0.85 NPC1 (0.58) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL1844806 0.80 MAPT (0.58) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL196377 0.77 GRM4 (0.49) RAB9ANPC1MAPTADORA3TP53
SCHEMBL196452 0.77 GRM4 (0.47) RAB9ANPC1MAPTALDH1A1ADORA3
SCHEMBL29501836 0.76 GRM4 (0.51) RAB9ANPC1MAPTADORA3TP53
SCHEMBL30637139 0.76 GRM4 (0.51) RAB9ANPC1MAPTADORA3TP53
SCHEMBL196780 0.76 GRM4 (0.51) RAB9ANPC1MAPTADORA3TP53
SCHEMBL6238037 0.76 NPY5R (0.60) RAB9ANPC1MAPTKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323661-B1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIV LEIDEN (NL) 2013-04-17 EP claimed
JP-2012500255-A 2012-01-05 JP claimed
US-20110144156-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIVERSITEIT LEIDEN (NL) 2011-06-16 US claimed
EP-2323661-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS Universiteit Leiden (NL) 2011-05-25 EP claimed
WO-2010020981-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIVERSITEIT LEIDEN (NL) 2010-02-25 WO claimed
US-9668959-B2 A3 adenosine receptor ligands for modulation of pigmentation ORADIN PHARMACEUTICAL LTD. (IL) 2017-06-06 US disclosed
EP-2456419-B1 A3 ADENOSINE RECEPTOR LIGANDS FOR MODULATION OF PIGMENTATION ORADIN PHARMACEUTICAL LTD (IL) 2016-11-23 EP disclosed
US-20160136079-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR MODULATION OF PIGMENTATION ORADIN PHARMACEUTICAL LTD. (IL) 2016-05-19 US disclosed
US-9199102-B2 A3 adenosine receptor ligands for modulation of pigmentation ORADIN PHARMACEUTICAL LTD. (IL) 2015-12-01 US disclosed
EP-2323661-B1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIV LEIDEN (NL) 2013-04-17 EP disclosed
US-20120134945-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR MODULATION OF PIGMENTATION ORADIN PHARMACEUTICAL LTD. (IL) 2012-05-31 US disclosed
EP-2456419-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR MODULATION OF PIGMENTATION Oradin Pharmaceutical Ltd. (IL) 2012-05-30 EP disclosed
US-20110144156-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIVERSITEIT LEIDEN (NL) 2011-06-16 US disclosed
US-20110144156-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIVERSITEIT LEIDEN (NL) 2011-06-16 US disclosed
US-20110144156-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIVERSITEIT LEIDEN (NL) 2011-06-16 US disclosed
EP-2323661-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS Universiteit Leiden (NL) 2011-05-25 EP disclosed
WO-2011010306-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR MODULATION OF PIGMENTATION RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2011-01-27 WO disclosed
WO-2010020981-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIVERSITEIT LEIDEN (NL) 2010-02-25 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-20110144156-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS ADORA3, ADORA2A, ADORA1 RAB9A 1121/4885NPC1 2737/4885CASP3 1891/4885

“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.