SCHEMBL719960

SCHEMBL719960

CCCc1nn(-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 0.39
HPGD P15428 1/20 0.39
MAPT P10636 5/20 0.38
KDM4E B2RXH2 5/20 0.38
APAF1 O14727 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GCGR P47871 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
SMO Q99835 1/20 0.35
POLB P06746 1/20 0.34
LMNA P02545 2/20 0.34
HDAC4 P56524 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL6035530 0.93 SMN1; SMN2 (0.38) SMN1; SMN2HPGDMAPTKDM4EAPAF1
SCHEMBL718302 0.90 SMN1; SMN2 (0.40) SMN1; SMN2HPGDMAPTKDM4EAPAF1
SCHEMBL717244 0.85 SMO (0.43) SMN1; SMN2HPGDMAPTKDM4EALDH1A1
SCHEMBL719795 0.85 SMN1; SMN2 (0.38) SMN1; SMN2HPGDMAPTKDM4EAPAF1
SCHEMBL6034585 0.85 SMN1; SMN2 (0.40) SMN1; SMN2HPGDMAPTKDM4EALDH1A1
SCHEMBL6034584 0.85 SMN1; SMN2 (0.40) SMN1; SMN2HPGDMAPTKDM4EALDH1A1
SCHEMBL716206 0.81 KDM4E (0.44) SMN1; SMN2HPGDMAPTKDM4EAPAF1
SCHEMBL6036080 0.81 SMN1; SMN2 (0.36) SMN1; SMN2HPGDMAPTKDM4EAPAF1
SCHEMBL6035839 0.81 SMN1; SMN2 (0.39) SMN1; SMN2HPGDMAPTKDM4EAPAF1
SCHEMBL6036018 0.80 GCGR (0.40) SMN1; SMN2HPGDMAPTKDM4EAPAF1

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 8 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
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US disclosed
EP-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 WO 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 (3 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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 SMN1; SMN2 4408/4885HPGD 3297/4885MAPT 4741/4885
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.