SCHEMBL1006991

SCHEMBL1006991

Cc1sc(NC(=O)c2ccnc(Cn3nc(C(F)(F)F)c4c3CCCC4)c2)c(C(N)=O)c1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
FLT3 P36888 2/20 0.42
GRM1 Q13255 2/20 0.42
GRIN2C Q14957 1/20 0.42
TP53 P04637 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
SLC2A1 P11166 1/20 0.41
SLC2A3 P11169 1/20 0.41
SLC2A4 P14672 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL1007802 0.89 GRM1 (0.54) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1007833 0.81 GRIN2C (0.46) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL12674317 0.81 MAPT (0.48) MAPTLMNASMN1; SMN2TP53MEN1
SCHEMBL1006846 0.81 SMN1; SMN2 (0.48) MAPTLMNASMN1; SMN2TP53MEN1
SCHEMBL1009773 0.80 MAPT (0.49) MAPTLMNASMN1; SMN2TP53MEN1
SCHEMBL1008097 0.80 LMNA (0.43) MAPTLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL1009744 0.79 MAPT (0.52) MAPTLMNATP53GAATSHR
SCHEMBL3453384 0.79 LMNA (0.64) MAPTLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL1083677 0.79 POLB (0.44) MAPTLMNASMN1; SMN2TP53MEN1
SCHEMBL1007169 0.79 MAPT (0.47) MAPTLMNASMN1; SMN2ALDH1A1TP53

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
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
WO-2009119088-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 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 (1 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 MAPT 4623/4885NPC1 3596/4885RAB9A 1932/4885

“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.