SCHEMBL1891273

SCHEMBL1891273

COc1ccc(NC(=O)c2cccc(Cn3nc(C(F)(F)F)c4c3CCCC4)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.56
TSHR P16473 2/20 0.54
MAPT P10636 10/20 0.54
LMNA P02545 4/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
PARP1 P09874 2/20 0.51
TP53 P04637 3/20 0.50
GAA P10253 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL1895722 0.92 MAPT (0.56) SMN1; SMN2TSHRMAPTLMNAMEN1
SCHEMBL1006093 0.89 MAPT (0.57) TSHRMAPTLMNACYP1A2CYP3A4
SCHEMBL1006821 0.88 MAPT (0.53) SMN1; SMN2TSHRMAPTLMNAMEN1
SCHEMBL1009106 0.85 GRIA2 (0.54) SMN1; SMN2TSHRMAPTLMNAMEN1
SCHEMBL1007201 0.84 POLB (0.56) SMN1; SMN2TSHRMAPTLMNAMEN1
SCHEMBL1007385 0.84 GRIA2 (0.49) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL1895488 0.84 MAPT (0.69) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL1008025 0.83 MAPT (0.53) TSHRMAPTLMNAMEN1KMT2A
SCHEMBL1893494 0.83 POLB (0.54) SMN1; SMN2TSHRMAPTLMNACYP1A2
SCHEMBL1895799 0.82 SMN1; SMN2 (0.56) SMN1; SMN2TSHRMAPTLMNAMEN1

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 5 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
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 SMN1; SMN2 3616/4885TSHR 134/4885MAPT 4623/4885

“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.