SCHEMBL3568649

SCHEMBL3568649

CNNC(=O)Cc1ccc(Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.54
KDM4E B2RXH2 1/20 0.54
GLA P06280 1/20 0.54
EGFR P00533 2/20 0.53
ERBB2 P04626 2/20 0.53
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NLRP3 Q96P20 1/20 0.51
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL3324450 0.84 KMT2A (0.59) KMT2AMEN1L3MBTL1KDM4EGLA
SCHEMBL27602299 0.81 GAA (0.59) KMT2AMEN1KDM4EEGFRERBB2
SCHEMBL5089606 0.80 ALDH1A1 (0.61) KMT2AMEN1KDM4ELMNASMN1; SMN2
Hydrochloric Acid SCHEMBL27604835 0.78 ALDH1A1 (0.59) KMT2AMEN1L3MBTL1KDM4EHTT
SCHEMBL4764012 0.77 KMT2A (0.65) KMT2AMEN1L3MBTL1KDM4EGLA
SCHEMBL1431992 0.76 ALDH1A1 (0.50) KMT2AMEN1L3MBTL1KDM4EGLA
SCHEMBL12941833 0.76 AOC2 (0.56) KMT2AMEN1L3MBTL1KDM4EGLA
SCHEMBL21665925 0.76 KMT2A (0.54) KMT2AMEN1L3MBTL1KDM4EGLA
SCHEMBL5871721 0.76 KMT2A (0.69) KMT2AMEN1L3MBTL1KDM4EGLA
SCHEMBL30034756 0.74 MEN1 (0.83) KMT2AMEN1HTTLMNASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812165-B2 6-substituted pyridoindolone derivatives, production and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-10-12 US disclosed
EP-1742947-B1 6-SUBSTITUTED PYRIDOINDOLONE DERIVATIVES PRODUCTION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2008-08-20 EP disclosed
US-20070129365-A1 6-Substituted pyridoindolone derivatives, production and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-06-07 US disclosed
EP-1742947-A1 6-SUBSTITUTED PYRIDOINDOLONE DERIVATIVES PRODUCTION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-01-17 EP disclosed
WO-2005108398-A1 6-SUBSTITUTED PYRIDOINDOLONE DERIVATIVES PRODUCTION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2005-11-17 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-20070129365-A1 6-Substituted pyridoindolone derivatives, production and therapeutic use thereof PNPO, CYP2D6, DPYD KMT2A 3979/4885MEN1 1188/4885L3MBTL1 3653/4885

“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.