SCHEMBL718281

SCHEMBL718281

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2oc3ccc(Cl)nc3c2C)C2CCCCC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
IDH1 O75874 1/20 0.32
RCE1 Q9Y256 1/20 0.32
S1PR1 P21453 3/20 0.32
P2RX3 P56373 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GCG P01275 1/20 0.31
TSHR P16473 1/20 0.31
HPGD P15428 1/20 0.31
LMNA P02545 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
TEAD4 Q15561 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SRC P12931 1/20 0.30

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
SCHEMBL721650 0.92 GCG (0.37) RCE1GCGHPGDMKNK2TEAD4
SCHEMBL720388 0.91 MEN1 (0.35) MEN1KMT2AIDH1RCE1S1PR1
SCHEMBL720175 0.89 MEN1 (0.34) MEN1KMT2AIDH1RCE1GCG
SCHEMBL721580 0.87 RCE1 (0.40) MEN1KMT2AIDH1RCE1KDM4E
SCHEMBL719205 0.86 MEN1 (0.48) MEN1KMT2AKDM4EALDH1A1GCG
SCHEMBL10249215 0.84 RCE1 (0.32) RCE1TEAD4
SCHEMBL718770 0.84 KMT2A (0.35) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL718427 0.84 KMT2A (0.35) MEN1KMT2AIDH1KDM4EALDH1A1
SCHEMBL719968 0.84 NPC1 (0.38) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL716825 0.83 NPC1 (0.41) MEN1KMT2AIDH1ALDH1A1TSHR

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-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP 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 (2 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MEN1 444/4885KMT2A 1298/4885IDH1 322/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MEN1 444/4885KMT2A 1298/4885IDH1 322/4885

“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.