SCHEMBL718232

SCHEMBL718232

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2oc3ccc(F)cc3c2C)C(CC)CC)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
RAB9A P51151 3/20 0.35
NAMPT P43490 2/20 0.35
PIK3CB P42338 1/20 0.34
IDH1 O75874 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
NPC1 O15118 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
THRB P10828 1/20 0.33
BRD4 O60885 1/20 0.33
MAPT P10636 3/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
CASP3 P42574 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
SENP7 Q9BQF6 1/20 0.32

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
SCHEMBL719995 0.91 NAMPT (0.36) KMT2ARAB9ANAMPTPIK3CBHDAC3
SCHEMBL719190 0.89 KMT2A (0.47) KMT2ARAB9ANPC1KDM4EALDH1A1
SCHEMBL718275 0.86 RAB9A (0.40) KMT2ARAB9ANAMPTPIK3CBIDH1
SCHEMBL716825 0.85 NPC1 (0.41) KMT2ARAB9ANAMPTPIK3CBIDH1
SCHEMBL2669991 0.84 NAMPT (0.40) KMT2ARAB9ANAMPTPIK3CBHDAC3
SCHEMBL717838 0.84 HIF1A (0.37) KMT2ARAB9ARXFP1MAPTKDM4E
SCHEMBL721410 0.81 KMT2A (0.33) KMT2ANAMPTIDH1MEN1
SCHEMBL719460 0.81 KMT2A (0.47) KMT2ARAB9ANPC1KDM4EALDH1A1
SCHEMBL719006 0.81 LMNA (0.41) KMT2ARAB9ANPC1RXFP1MAPT
SCHEMBL721622 0.81 CA12 (0.40) KMT2ARAB9ANPC1RXFP1MAPT

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 7 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-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-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
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 KMT2A 1298/4885RAB9A 2454/4885NAMPT 69/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KMT2A 1298/4885RAB9A 2454/4885NAMPT 69/4885

“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.