SCHEMBL17954187

SCHEMBL17954187

C=C(O)c1cccc(CN2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.63
MEN1 O00255 4/20 0.63
POLB P06746 1/20 0.59
HRH4 Q9H3N8 6/20 0.57
HRH3 Q9Y5N1 2/20 0.57
HRH1 P35367 1/20 0.57
HDAC6 Q9UBN7 1/20 0.53
GPR183 P32249 3/20 0.53
DRD3 P35462 2/20 0.52
DRD2 P14416 1/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CHRM2 P08172 1/20 0.50
CHRM3 P20309 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
SCHEMBL16598788 0.92 KMT2A (0.65) KMT2AMEN1POLBHRH4HRH3
SCHEMBL17954185 0.89 KMT2A (0.59) KMT2AMEN1POLBHRH4HRH3
SCHEMBL17938712 0.87 KMT2A (0.61) KMT2AMEN1POLBHRH4HRH3
SCHEMBL17938610 0.86 KMT2A (0.65) KMT2AMEN1POLBHRH4HRH3
SCHEMBL16599353 0.85 KMT2A (0.71) KMT2AMEN1POLBHRH4HRH3
SCHEMBL16599044 0.84 KMT2A (0.70) KMT2AMEN1POLBHRH4HRH3
SCHEMBL16599482 0.83 KMT2A (0.59) KMT2AMEN1POLBHRH4HRH3
SCHEMBL17955267 0.82 KMT2A (0.57) KMT2AMEN1POLBHRH4HRH3
SCHEMBL17954194 0.82 KMT2A (0.56) KMT2AMEN1POLBHRH4HRH3
SCHEMBL17954191 0.82 KMT2A (0.70) KMT2AMEN1POLBHRH4HRH3

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 2201/4885POLB 3835/4885

“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.