SCHEMBL9103196

SCHEMBL9103196

CC(=O)Nc1cc(-c2cc(C(=O)NCc3ccc(N(C)C)cc3)c(-c3ccccc3Cl)o2)c(C)cn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 3/20 0.39
LMNA P02545 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
MAPT P10636 6/20 0.37
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
RAB9A P51151 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
S1PR4 O95977 1/20 0.36
HTT P42858 3/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL9107516 0.92 MAPT (0.43) KDM4EKMT2AALDH1A1MEN1LMNA
SCHEMBL9106554 0.86 HPGD (0.42) KDM4EKMT2AALDH1A1MEN1LMNA
SCHEMBL9110460 0.86 KMT2A (0.47) KDM4EKMT2AALDH1A1MEN1LMNA
SCHEMBL9108275 0.85 PIK3C3 (0.42) KDM4EKMT2AALDH1A1MEN1LMNA
SCHEMBL9110058 0.85 HPGD (0.50) KDM4EKMT2AALDH1A1LMNARAB9A
SCHEMBL9109120 0.84 ALDH1A1 (0.47) KDM4EKMT2AALDH1A1MEN1LMNA
SCHEMBL9108936 0.84 ALDH1A1 (0.48) KDM4EKMT2AALDH1A1MEN1LMNA
SCHEMBL9109287 0.83 ALDH1A1 (0.45) KDM4EKMT2AALDH1A1MEN1LMNA
SCHEMBL9890501 0.83 KMT2A (0.39) KDM4EKMT2AALDH1A1MEN1LMNA
SCHEMBL9106623 0.83 KMT2A (0.39) KDM4EKMT2AALDH1A1MEN1LMNA

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-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 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-20120142732-A1 HETEROARYLS AND USES THEREOF PIK3R4, PIK3C2B, PIK3R1 KDM4E 2506/4885KMT2A 2944/4885ALDH1A1 1905/4885

“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.