SCHEMBL718600

SCHEMBL718600

CCCc1nn(-c2ccc(C(F)(F)F)cn2)cc1C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.45
MAPT P10636 5/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HPGD P15428 1/20 0.43
LMNA P02545 2/20 0.41
KDM4E B2RXH2 4/20 0.40
GCGR P47871 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
HDAC4 P56524 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CFTR P13569 1/20 0.38
ALDH1A1 P00352 1/20 0.38
DGAT1 O75907 1/20 0.37
NR4A2 P43354 1/20 0.37

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
SCHEMBL27852540 0.94 SMN1; SMN2 (0.44) SMN1; SMN2MAPTNPC1RAB9AHPGD
SCHEMBL719745 0.91 SMN1; SMN2 (0.47) SMN1; SMN2MAPTNPC1RAB9AHPGD
SCHEMBL6035696 0.90 SMN1; SMN2 (0.57) SMN1; SMN2MAPTNPC1RAB9AHPGD
SCHEMBL718902 0.89 MAPT (0.44) SMN1; SMN2MAPTNPC1RAB9AHPGD
SCHEMBL6034687 0.84 SMN1; SMN2 (0.55) SMN1; SMN2MAPTNPC1RAB9AHPGD
SCHEMBL14905671 0.83 MAPT (0.47) SMN1; SMN2MAPTNPC1RAB9AHPGD
SCHEMBL719325 0.81 LMNA (0.43) SMN1; SMN2MAPTNPC1RAB9AHPGD
SCHEMBL719337 0.80 PANK3 (0.42) SMN1; SMN2MAPTNPC1RAB9AHPGD
SCHEMBL719513 0.80 SMN1; SMN2 (0.52) SMN1; SMN2MAPTNPC1RAB9AHPGD
SCHEMBL6036156 0.78 SMN1; SMN2 (0.40) SMN1; SMN2MAPTNPC1RAB9AHPGD

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 SMN1; SMN2 1051/4885MAPT 4533/4885NPC1 902/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP SMN1; SMN2 1051/4885MAPT 4533/4885NPC1 902/4885

“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.