SCHEMBL197113

SCHEMBL197113

COc1ccc(Nc2cc(NC(=O)C3CCCC3)c3ccccc3n2)cc1.O=C(Nc1cc(Nc2ccc(Cl)c(Cl)c2)nc2ccccc12)C1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.57
LMNA P02545 3/20 0.51
TP53 P04637 2/20 0.51
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
RAB9A P51151 1/20 0.49
IGF1R P08069 1/20 0.47
ACP1 P24666 2/20 0.45
ADORA3 P0DMS8 1/20 0.44
GRM4 Q14833 1/20 0.44
MERTK Q12866 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL937298 0.93 MAPT (0.64) MAPTLMNATP53NPSR1KMT2A
SCHEMBL196377 0.92 GRM4 (0.49) MAPTTP53RAB9AADORA3GRM4
SCHEMBL29501836 0.91 GRM4 (0.51) MAPTTP53RAB9AADORA3GRM4
SCHEMBL196780 0.91 GRM4 (0.51) MAPTTP53RAB9AADORA3GRM4
SCHEMBL30637139 0.91 GRM4 (0.51) MAPTTP53RAB9AADORA3GRM4
SCHEMBL196452 0.90 GRM4 (0.47) MAPTTP53RAB9AADORA3GRM4
SCHEMBL196327 0.90 MAPT (0.55) MAPTLMNATP53NPSR1KMT2A
SCHEMBL196310 0.89 RXFP1 (0.47) MAPTTP53KMT2ARAB9AADORA3
SCHEMBL197114 0.85 MAPT (0.49) MAPTLMNATP53NPSR1KMT2A
SCHEMBL934924 0.84 IGF1R (0.52) MAPTTP53KMT2AMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MAPT 4299/4885LMNA 3678/4885TP53 376/4885

“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.