SCHEMBL2868944

SCHEMBL2868944

COC(=O)CCn1ccc2cccc([N+](=O)[O-])c21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TXNRD1 Q16881 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 4/20 0.37
MAPK1 P28482 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GSTP1 P09211 1/20 0.37
GSTM2 P28161 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL14876425 0.87 ALDH1A1 (0.47) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL2866149 0.79 KDM4E (0.41) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL6968546 0.78 ELANE (0.47) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL13139569 0.78 ALDH1A1 (0.44) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL24130455 0.77 ALDH1A1 (0.43) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL3051931 0.77 KMT2A (0.40) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL2875151 0.76 KMT2A (0.50) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL2875153 0.76 KMT2A (0.50) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL476705 0.73 HTT (0.48) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL2037341 0.73 LMNA (0.65) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2

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 9 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
EP-2393803-A1 SUBSTITUTED INDOLE COMPOUNDS AS BRADYKININ RECEPTOR 1 MODULATORS Grünenthal GmbH (DE) 2011-12-14 EP 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
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 ALDH1A1 1551/4885LMNA 2571/4885MEN1 1256/4885

“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.