SCHEMBL718499

SCHEMBL718499

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
RAB9A P51151 7/20 0.51
NPC1 O15118 6/20 0.51
GAA P10253 1/20 0.51
RXFP1 Q9HBX9 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
PKM P14618 1/20 0.45
HCRTR1 O43613 1/20 0.44

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
SCHEMBL716858 0.89 KDM4E (0.48) MAPTKDM4EALDH1A1SMN1; SMN2CYP1A2
SCHEMBL721535 0.87 PKM (0.58) MAPTKDM4ESMN1; SMN2CYP1A2CYP3A4
SCHEMBL11100621 0.85 RAB9A (0.55) MAPTKDM4EALDH1A1SMN1; SMN2CYP1A2
SCHEMBL719607 0.85 MCL1 (0.63) MAPTKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL720540 0.81 HTT (0.54) MAPTKDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL724096 0.81 MAPT (0.64) MAPTKDM4EALDH1A1SMN1; SMN2CYP1A2
SCHEMBL11545219 0.79 RAB9A (0.58) MAPTKDM4EALDH1A1SMN1; SMN2CYP1A2
SCHEMBL4310466 0.79 MCL1 (0.67) MAPTKDM4EALDH1A1SMN1; SMN2CYP1A2
SCHEMBL4653953 0.79 KDM4E (0.49) MAPTKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL20893375 0.76 MAPT (0.62) MAPTKDM4EALDH1A1SMN1; SMN2CYP1A2

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 MAPT 4533/4885KDM4E 1907/4885ALDH1A1 504/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MAPT 4533/4885KDM4E 1907/4885ALDH1A1 504/4885

“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.