SCHEMBL721436

SCHEMBL721436

CC(C)(C)c1nn(-c2ccc(C(F)(F)F)cn2)cc1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
APAF1 O14727 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CNR2 P34972 6/20 0.38
CNR1 P21554 4/20 0.38
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.36
HDAC4 P56524 1/20 0.36
ABL1 P00519 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 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
SCHEMBL716206 0.84 KDM4E (0.44) MAPTKDM4EALDH1A1SMN1; SMN2APAF1
SCHEMBL6035587 0.83 HPGD (0.40) MAPTKDM4EALDH1A1SMN1; SMN2CNR2
SCHEMBL6035593 0.83 HPGD (0.40) MAPTKDM4EALDH1A1SMN1; SMN2CNR2
SCHEMBL6035839 0.81 SMN1; SMN2 (0.39) MAPTKDM4EALDH1A1SMN1; SMN2APAF1
SCHEMBL5904825 0.81 PTGS2 (0.40) KDM4EALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL718302 0.81 SMN1; SMN2 (0.40) MAPTKDM4EALDH1A1SMN1; SMN2APAF1
SCHEMBL716536 0.81 MAPT (0.39) MAPTKDM4EALDH1A1SMN1; SMN2APAF1
SCHEMBL6036360 0.80 MAPT (0.39) MAPTKDM4EALDH1A1SMN1; SMN2APAF1
SCHEMBL719960 0.79 SMN1; SMN2 (0.39) MAPTKDM4EALDH1A1SMN1; SMN2APAF1
SCHEMBL719795 0.78 SMN1; SMN2 (0.38) MAPTKDM4EALDH1A1SMN1; SMN2APAF1

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.