SCHEMBL720472

SCHEMBL720472

CCOC(=O)CCN(C)C(=O)c1ccc(NC(CCCCOC)c2oc3ccc(OC)cc3c2C)cc1.COCCCCC(Nc1ccc(C(=O)N(C)CCC(=O)O)cc1)c1oc2ccc(OC)cc2c1C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
TSHR P16473 2/20 0.39
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.35
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL720118 0.98 KMT2A (0.43) KMT2ANPC1RAB9ATSHRMEN1
SCHEMBL718234 0.95 NPC1 (0.45) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL716911 0.92 KMT2A (0.40) KMT2ANPC1RAB9ATSHRMEN1
SCHEMBL720030 0.91 KMT2A (0.43) KMT2ANPC1RAB9ATSHRMEN1
SCHEMBL718398 0.89 KMT2A (0.42) KMT2ANPC1RAB9ATSHRMEN1
SCHEMBL717989 0.89 KMT2A (0.43) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL3398050 0.89 KMT2A (0.41) KMT2ANPC1RAB9ATSHRMEN1
SCHEMBL719322 0.88 KMT2A (0.43) KMT2ANPC1RAB9ATSHRMEN1
SCHEMBL719521 0.87 KMT2A (0.37) KMT2ANPC1RAB9ATSHRMEN1
SCHEMBL2669827 0.86 KMT2A (0.42) KMT2ANPC1RAB9AMEN1KDM4E

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 1298/4885NPC1 902/4885RAB9A 2454/4885

“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.