SCHEMBL2870320

SCHEMBL2870320

O=C(O)Cn1ccc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
HTR7 P34969 1/20 0.51
KRAS P01116 1/20 0.44
PPARG P37231 2/20 0.44
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
KMO O15229 1/20 0.43
CYP1A2 P05177 2/20 0.43
CDC7 O00311 1/20 0.43
AR P10275 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
AHR P35869 1/20 0.42
RAB9A P51151 1/20 0.42
CASP6 P55212 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CCR2 P41597 1/20 0.42
PLG P00747 1/20 0.40

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
SCHEMBL2873839 1.00 KMT2A (0.54) KMT2AHTR7KRASPPARGPPARD
SCHEMBL3184801 0.88 KRAS (0.55) KMT2AKRASPPARGPPARDPPARA
SCHEMBL13139566 0.87 HTR7 (0.53) KMT2AHTR7KRASCYP1A2CDC7
SCHEMBL3356235 0.87 HTR7 (0.50) KMT2AHTR7KRASCYP1A2CDC7
SCHEMBL23631701 0.86 KRAS (0.46) KMT2AHTR7KRASKMOCDC7
SCHEMBL3356863 0.83 HTR7 (0.50) KMT2AHTR7KRASCYP1A2CDC7
SCHEMBL3356633 0.83 HTR7 (0.50) HTR7KRASCYP1A2CDC7AR
SCHEMBL3354019 0.83 HTR7 (0.50) KMT2AHTR7KRASCYP1A2AR
SCHEMBL1122247 0.81 ALDH1A1 (0.52) KMT2AHTR7PPARGLMNAPOLB
SCHEMBL10923807 0.81 HTR7 (0.51) HTR7KMOL3MBTL1

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
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
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 KMT2A 2512/4885HTR7 127/4885KRAS 1422/4885

“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.