SCHEMBL17954194

SCHEMBL17954194

Cc1ccc(NC(=O)c2cccc(CN3CCN(C(=O)c4cc5cc(Cl)ccc5[nH]4)CC3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MEN1 O00255 3/20 0.56
HRH4 Q9H3N8 4/20 0.52
HRH3 Q9Y5N1 2/20 0.52
HRH1 P35367 1/20 0.52
POLB P06746 1/20 0.52
ABCB1 P08183 2/20 0.52
HDAC6 Q9UBN7 1/20 0.51
AKR1C3 P42330 1/20 0.49
DRD3 P35462 1/20 0.49
NHERF1 O14745 2/20 0.48
PYGL P06737 2/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
GPR183 P32249 1/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL17954196 0.92 KMT2A (0.61) KMT2AMEN1HRH4HRH3HRH1
SCHEMBL17955267 0.92 KMT2A (0.57) KMT2AMEN1HRH4HRH3HRH1
SCHEMBL17954140 0.85 KMT2A (0.73) KMT2AMEN1HRH4HRH3HRH1
SCHEMBL17938712 0.84 KMT2A (0.61) KMT2AMEN1HRH4HRH3HRH1
SCHEMBL16598788 0.84 KMT2A (0.65) KMT2AMEN1HRH4HRH3HRH1
SCHEMBL17955266 0.83 MEN1 (0.63) KMT2AMEN1HRH4HRH3HRH1
SCHEMBL17954185 0.82 KMT2A (0.59) KMT2AMEN1HRH4HRH3HRH1
SCHEMBL17954187 0.82 KMT2A (0.63) KMT2AMEN1HRH4HRH3HRH1
SCHEMBL17954195 0.81 HRH4 (0.66) KMT2AMEN1HRH4HRH3HRH1
SCHEMBL16599482 0.80 KMT2A (0.59) KMT2AMEN1HRH4HRH3HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776979-B2 EBI2 modulators SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-10-03 US disclosed
US-20160214951-A1 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-07-28 US 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-20160214951-A1 EBI2 MODULATORS BIRC2, HAVCR2, MAVS KMT2A 1057/4885MEN1 2201/4885HRH4 3590/4885

“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.