SCHEMBL9890032

SCHEMBL9890032

CC(=O)Nc1cc(-c2nc(C(=O)NCCCCO)c(-c3ccccc3Cl)o2)c(C)cn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.38
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HSP90AB1 P08238 1/20 0.36
ABL1 P00519 3/20 0.36
KMT2A Q03164 3/20 0.36
EGLN1 Q9GZT9 2/20 0.35
EGLN3 Q9H6Z9 2/20 0.35
VEGFA P15692 1/20 0.35
FLT1 P17948 1/20 0.35
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL9104246 0.90 HSP90AB1 (0.46) PIK3C3HSP90AB1ABL1KMT2AEGLN1
SCHEMBL16167733 0.90 PIK3C3 (0.38) PIK3C3HSP90AB1ABL1KMT2AEGLN1
SCHEMBL9108294 0.89 ALDH1A1 (0.44) PIK3C3HSP90AB1ABL1KMT2AEGLN1
SCHEMBL9888615 0.88 PANK3 (0.41) PIK3C3HSP90AB1ABL1KMT2AEGLN1
SCHEMBL10183169 0.87 HDAC1 (0.39) HDAC1HDAC6KMT2AEGLN1EGLN3
SCHEMBL9109647 0.86 MAPT (0.43) PIK3C3HSP90AB1KMT2AEGLN1EGLN3
SCHEMBL9108437 0.86 PIK3C3 (0.42) PIK3C3ABL1KMT2AKDM4EMEN1
SCHEMBL9106485 0.86 PIK3C3 (0.38) PIK3C3HSP90AB1ABL1KMT2AEGLN1
SCHEMBL9888733 0.86 PIK3C3 (0.38) PIK3C3HSP90AB1ABL1KMT2AEGLN1
SCHEMBL9108759 0.85 NAMPT (0.49) HSP90AB1KMT2AKDM4EMEN1ALDH1A1

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-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

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 PIK3C3 52/4885HDAC1 286/4885HDAC6 811/4885

“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.