SCHEMBL721535

SCHEMBL721535

CON(C)C(=O)c1oc2ccc(C)cc2c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.58
NPC1 O15118 10/20 0.55
RAB9A P51151 9/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
KCNH2 Q12809 1/20 0.52
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.46

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
SCHEMBL4653953 0.89 KDM4E (0.49) PKMNPC1RAB9AMEN1KMT2A
SCHEMBL718499 0.87 MAPT (0.57) PKMNPC1RAB9AMEN1KMT2A
SCHEMBL719607 0.86 MCL1 (0.63) PKMNPC1RAB9AMEN1KMT2A
SCHEMBL11095152 0.85 PKM (0.64) PKMNPC1RAB9AMEN1KMT2A
SCHEMBL720540 0.82 HTT (0.54) PKMNPC1RAB9AMEN1KMT2A
SCHEMBL716858 0.79 KDM4E (0.48) PKMNPC1RAB9AMEN1KMT2A
SCHEMBL7032769 0.77 KCNH2 (0.61) PKMNPC1RAB9AMEN1KMT2A
SCHEMBL1065472 0.77 MCL1 (0.71) PKMNPC1RAB9AMEN1KMT2A
SCHEMBL4654264 0.76 ALDH1A1 (0.45) PKMNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL19661814 0.75 KCNH2 (0.60) PKMNPC1RAB9AMEN1KMT2A

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 PKM 2662/4885NPC1 902/4885RAB9A 2454/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP PKM 2662/4885NPC1 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.