SCHEMBL3399863

SCHEMBL3399863

CCc1nn(-c2cccc(OC)c2)cc1C(Nc1ccc(C(=O)N(C)CCC(=O)O)cc1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
GCG P01275 4/20 0.37
SLC6A9 P48067 1/20 0.37
GCGR P47871 1/20 0.36
UBE2N P61088 1/20 0.35
CTSS P25774 1/20 0.35
TP53 P04637 1/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
NTSR1 P30989 1/20 0.34
RCE1 Q9Y256 1/20 0.34
EGFR P00533 1/20 0.34
FGFR1 P11362 1/20 0.34
KDR P35968 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL721158 0.95 GCG (0.39) KMT2AMEN1ALDH1A1MAPK1GCG
SCHEMBL10242831 0.94 MEN1 (0.38) KMT2AMEN1ALDH1A1MAPK1GCG
SCHEMBL720989 0.93 MAPT (0.37) KMT2AMEN1ALDH1A1MAPK1SLC6A9
SCHEMBL719341 0.93 SLC6A9 (0.41) KMT2AMEN1GCGSLC6A9GCGR
SCHEMBL720391 0.91 GCG (0.40) KMT2AMEN1ALDH1A1MAPK1GCG
SCHEMBL3403967 0.90 MEN1 (0.39) KMT2AMEN1ALDH1A1MAPK1GCG
SCHEMBL717215 0.88 RAB9A (0.37) KMT2AMEN1ALDH1A1MAPK1GCG
SCHEMBL718698 0.88 KMT2A (0.32) KMT2AMEN1ALDH1A1MAPK1GCG
SCHEMBL14905742 0.88 MAPT (0.36) KMT2AMEN1ALDH1A1MAPK1SLC6A9
SCHEMBL721415 0.87 SLC6A9 (0.41) KMT2AMEN1GCGSLC6A9GCGR

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 7 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-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
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-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 KMT2A 1298/4885MEN1 444/4885ALDH1A1 504/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KMT2A 1298/4885MEN1 444/4885ALDH1A1 504/4885

“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.