SCHEMBL718302

SCHEMBL718302

CCc1nn(-c2ccc(C(F)(F)F)cn2)cc1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 6/20 0.39
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 2/20 0.39
APAF1 O14727 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.36
SMO Q99835 1/20 0.36
POLB P06746 1/20 0.35
LMNA P02545 2/20 0.35
HDAC4 P56524 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
CHRNA7 P36544 1/20 0.35
ABL1 P00519 1/20 0.35

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
SCHEMBL719960 0.90 SMN1; SMN2 (0.39) SMN1; SMN2HPGDMAPTKDM4EALDH1A1
SCHEMBL6035530 0.88 SMN1; SMN2 (0.38) SMN1; SMN2HPGDMAPTKDM4EALDH1A1
SCHEMBL719795 0.87 SMN1; SMN2 (0.38) SMN1; SMN2HPGDMAPTKDM4EALDH1A1
SCHEMBL716206 0.83 KDM4E (0.44) SMN1; SMN2HPGDMAPTKDM4EALDH1A1
SCHEMBL6035839 0.83 SMN1; SMN2 (0.39) SMN1; SMN2HPGDMAPTKDM4EALDH1A1
SCHEMBL717244 0.82 SMO (0.43) SMN1; SMN2HPGDMAPTKDM4EALDH1A1
SCHEMBL719698 0.82 PTGS2 (0.40) SMN1; SMN2KDM4EALDH1A1KMT2ARAB9A
SCHEMBL6035022 0.81 SMN1; SMN2 (0.41) SMN1; SMN2HPGDMAPTKDM4EALDH1A1
SCHEMBL721436 0.81 MAPT (0.40) SMN1; SMN2HPGDMAPTKDM4EALDH1A1
SCHEMBL716536 0.80 MAPT (0.39) SMN1; SMN2HPGDMAPTKDM4EALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015641-B Heterocyclic compound TAKEDA PHARMACEUTICAL 2014-01-01 CN 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-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
CN-102015641-A Heterocyclic compound TAKEDA PHARMACEUTICAL 2011-04-13 CN 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 SMN1; SMN2 1051/4885HPGD 486/4885MAPT 4533/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP SMN1; SMN2 1051/4885HPGD 486/4885MAPT 4533/4885

“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.