SCHEMBL3049396

SCHEMBL3049396

O=C(O)Cn1ccc2cccc(N3Cc4cccc(Cl)c4C3=O)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 4/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
AKR1B1 P15121 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
BDKRB1 P46663 1/20 0.36
PDPK1 O15530 1/20 0.36
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
FFAR4 Q5NUL3 1/20 0.33
NPY5R Q15761 1/20 0.33
ESR1 P03372 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL13139568 0.90 GRM1 (0.41) GRM1KDM4EHSD17B10CYP1A2MAPT
SCHEMBL2878484 0.89 GRM1 (0.38) GRM1KMT2AKDM4EMEN1MAPT
SCHEMBL3042444 0.88 POLB (0.42) GRM1KDM4EHSD17B10ALDH1A1MAPT
SCHEMBL3058009 0.85 GRM1 (0.39) GRM1KMT2AKDM4EHSD17B10MEN1
SCHEMBL3058010 0.82 GRM1 (0.40) GRM1KDM4EHSD17B10MAPTBDKRB1
SCHEMBL3042441 0.79 GRM1 (0.42) GRM1KMT2AKDM4EHSD17B10MEN1
SCHEMBL3043088 0.79 HTR2A (0.42) GRM1KMT2AKDM4EHSD17B10MAPT
SCHEMBL3050577 0.77 BDKRB1 (0.60) ALDH1A1CYP1A2BDKRB1
SCHEMBL1576332 0.75 KMT2A (0.56) KMT2AKDM4EHSD17B10MEN1ALDH1A1
SCHEMBL3051491 0.73 BDKRB1 (0.58) ALDH1A1CYP1A2BDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 US disclosed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 US disclosed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 US disclosed
WO-2010089084-A1 SUBSTITUTED INDOLE COMPOUNDS AS BRADYKININ RECEPTOR 1 MODULATORS Grünenthal GmbH (DE) 2010-08-12 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-20100222324-A1 Substituted Indole Compounds BDKRB1, BDKRB2, EDNRB GRM1 779/4885KMT2A 2512/4885KDM4E 3034/4885

“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.