SCHEMBL1007202

SCHEMBL1007202

O=C(NCCCn1ccnc1)c1ccccc1Cn1nc(C(F)(F)F)c2c1CCCC2

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HSD17B10 Q99714 3/20 0.47
POLB P06746 3/20 0.47
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 2/20 0.45
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL1008037 0.84 KMT2A (0.52) MEN1KMT2APOLBLMNASMN1; SMN2
SCHEMBL1007915 0.80 ALDH1A1 (0.56) POLBLMNASMN1; SMN2TP53ALDH1A1
SCHEMBL1895449 0.79 LMNA (0.54) POLBLMNASMN1; SMN2TP53ALDH1A1
SCHEMBL1895205 0.78 POLB (0.58) HSD17B10POLBLMNASMN1; SMN2TP53
SCHEMBL1007124 0.78 POLB (0.54) HSD17B10POLBLMNASMN1; SMN2TP53
SCHEMBL1009396 0.78 LMNA (0.51) POLBLMNASMN1; SMN2TP53ALDH1A1
SCHEMBL1009646 0.77 POLB (0.55) HSD17B10POLBLMNASMN1; SMN2TP53
SCHEMBL1009563 0.76 POLB (0.56) HSD17B10POLBLMNASMN1; SMN2TP53
SCHEMBL1007507 0.76 LMNA (0.58) HSD17B10POLBLMNASMN1; SMN2TP53
SCHEMBL1007292 0.76 POLB (0.52) HSD17B10POLBLMNASMN1; SMN2TP53

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 MEN1 1454/4885KMT2A 1139/4885HSD17B10 2980/4885

“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.