SCHEMBL720141

SCHEMBL720141

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2oc3ccc(C#N)cc3c2C)C2CCCCC2)cc1.Cc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)C2CCCCC2)oc2ccc(C#N)cc12

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
PTGER4 P35408 1/20 0.32
TEAD4 Q15561 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CETP P11597 2/20 0.31
TP53 P04637 1/20 0.30
POLB P06746 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
SCHEMBL719119 0.98 KMT2A (0.33) KMT2AMEN1TEAD4KDM4EALDH1A1
SCHEMBL3402253 0.94 TEAD4 (0.35) KMT2APTGER4TEAD4ALDH1A1CETP
SCHEMBL720867 0.91 KMT2A (0.34) KMT2AMEN1TEAD4KDM4EALDH1A1
SCHEMBL718427 0.88 KMT2A (0.35) KMT2AMEN1TEAD4KDM4EALDH1A1
SCHEMBL718770 0.88 KMT2A (0.35) KMT2AMEN1TEAD4KDM4EALDH1A1
SCHEMBL718456 0.87 P2RX3 (0.34) KMT2AKDM4EALDH1A1HPGDTSHR
SCHEMBL716825 0.87 NPC1 (0.41) KMT2AMEN1TEAD4ALDH1A1TSHR
SCHEMBL720981 0.87 KMT2A (0.34) KMT2AMEN1TEAD4KDM4EALDH1A1
SCHEMBL719324 0.87 MAPT (0.36) KMT2AMEN1TEAD4KDM4EALDH1A1
SCHEMBL718598 0.87 KMT2A (0.33) KMT2AMEN1TEAD4KDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KMT2A 1298/4885MEN1 444/4885PTGER4 1137/4885

“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.