SCHEMBL721260

SCHEMBL721260

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2cn(-c3cccc(Cl)c3)nc2C)C2CCCCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.38
GCG P01275 2/20 0.37
HSD17B10 Q99714 1/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
IDH1 O75874 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
MGLL Q99685 1/20 0.33
RCE1 Q9Y256 1/20 0.33
P2RX3 P56373 1/20 0.32
HSD11B1 P28845 2/20 0.32
HSD11B2 P80365 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL717775 0.92 MAPT (0.39) GCGHPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL720570 0.92 GCG (0.44) CASP3GCGALDH1A1RCE1HSD11B1
SCHEMBL718892 0.89 GCG (0.35) CASP3GCGHPGDSMN1; SMN2MAPT
SCHEMBL720151 0.88 GCG (0.39) GCGMAPTIDH1HTR2AHTR2C
SCHEMBL717215 0.86 RAB9A (0.37) GCGHPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL720989 0.85 MAPT (0.37) HPGDSMN1; SMN2MAPTALDH1A1IDH1
SCHEMBL719327 0.85 GCG (0.35) GCGHPGDMAPTALDH1A1LMNA
SCHEMBL14905742 0.84 MAPT (0.36) HPGDSMN1; SMN2MAPTALDH1A1IDH1
SCHEMBL718452 0.84 MAPT (0.36) HPGDSMN1; SMN2MAPTALDH1A1IDH1
SCHEMBL720391 0.84 GCG (0.40) GCGSMN1; SMN2MAPTALDH1A1LMNA

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 CASP3 489/4885GCG 35/4885HSD17B10 691/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP CASP3 489/4885GCG 35/4885HSD17B10 691/4885

“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.