SCHEMBL718588

SCHEMBL718588

CCOC(=O)CCNC(=O)c1ccc(NC(c2oc3ccc(OC)cc3c2C#N)C2CCCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MDM2 Q00987 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL720121 0.91 GCG (0.42) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL719981 0.89 MEN1 (0.45) MEN1KMT2ANPC1RAB9ATSHR
SCHEMBL716783 0.87 KMT2A (0.39) KMT2ANPC1RAB9ATSHRPOLB
SCHEMBL719151 0.85 MEN1 (0.45) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL717861 0.84 NPC1 (0.39) NPC1RAB9APOLBTRPV1MTNR1A
SCHEMBL718278 0.84 NPC1 (0.43) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL718361 0.83 MEN1 (0.44) MEN1KMT2ANPC1RAB9ATSHR
SCHEMBL719578 0.82 MEN1 (0.48) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL721161 0.82 NPC1 (0.50) NPC1RAB9APOLBTRPV1ALDH1A1
SCHEMBL718026 0.81 MEN1 (0.43) MEN1KMT2ANPC1RAB9ATSHR

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 1298/4885NPC1 902/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MEN1 444/4885KMT2A 1298/4885NPC1 902/4885

“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.