SCHEMBL197114

SCHEMBL197114

COc1ccc(Nc2cc(NC(=O)C3(C4(C(=O)Nc5cc(Nc6ccc(Cl)c(Cl)c6)nc6ccccc56)CCCC4)CCCC3)c3ccccc3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.49
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
RAB9A P51151 1/20 0.48
TP53 P04637 4/20 0.48
IGF1R P08069 1/20 0.46
ACP1 P24666 2/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL196311 0.89 MAPT (0.41) MAPTLMNASMN1; SMN2KMT2AKDM4E
SCHEMBL197113 0.85 MAPT (0.57) MAPTLMNASMN1; SMN2KMT2AKDM4E
SCHEMBL196682 0.82 IGF1R (0.49) MAPTSMN1; SMN2TP53IGF1RACP1
SCHEMBL937298 0.77 MAPT (0.64) MAPTLMNASMN1; SMN2KMT2AKDM4E
SCHEMBL959150 0.76 MEN1 (0.48) MAPTLMNASMN1; SMN2KMT2AMEN1
SCHEMBL196377 0.75 GRM4 (0.49) MAPTRAB9ATP53
SCHEMBL196452 0.75 GRM4 (0.47) MAPTRAB9ATP53ALDH1A1
SCHEMBL196327 0.75 MAPT (0.55) MAPTLMNASMN1; SMN2KMT2AKDM4E
SCHEMBL936460 0.75 NPC1 (0.58) MAPTLMNASMN1; SMN2KMT2AMEN1
SCHEMBL29501836 0.75 GRM4 (0.51) MAPTRAB9ATP53

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 3678/4885SMN1; SMN2 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.