SCHEMBL9890501

SCHEMBL9890501

CC(=O)Nc1cc(-c2cc(C(=O)NC[C@@H](C)O)c(-c3ccccc3Cl)o2)c(C)cn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
LIMK1 P53667 1/20 0.36
CNR2 P34972 2/20 0.36
P2RX7 Q99572 8/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ABL1 P00519 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
SCHEMBL9106623 1.00 KMT2A (0.39) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL9106554 0.90 HPGD (0.42) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL9108369 0.90 KMT2A (0.39) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL9108010 0.89 KMT2A (0.42) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL9109616 0.88 PIK3C3 (0.42) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL9107516 0.87 MAPT (0.43) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL9108275 0.86 PIK3C3 (0.42) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL9109287 0.86 ALDH1A1 (0.45) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL9890033 0.85 PIK3C3 (0.44) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL9888609 0.85 RAB9A (0.44) KMT2AKDM4EMEN1ALDH1A1LMNA

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 3 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
WO-2012021615-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 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-20120142732-A1 HETEROARYLS AND USES THEREOF PIK3R4, PIK3C2B, PIK3R1 KMT2A 2944/4885KDM4E 2506/4885MEN1 3292/4885

“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.