SCHEMBL16617841

SCHEMBL16617841

CC(=O)C(=NNc1ccc(OC(F)(F)F)cc1)C(=O)CCC(=O)C(N=Nc1ccc(OC(F)(F)F)cc1)C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
EPAS1 Q99814 1/20 0.38
EPHX2 P34913 1/20 0.35
POLB P06746 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
GAA P10253 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35

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
SCHEMBL16617839 0.88 ALDH1A1 (0.44) ALDH1A1MAPTTDP1TP53MEN1
SCHEMBL518772 0.76 MAPT (0.57) ALDH1A1MAPTTDP1TP53MEN1
SCHEMBL28039654 0.63 POLB (0.56) ALDH1A1MAPTTDP1TP53MEN1
SCHEMBL518946 0.62 NPC1 (0.48) ALDH1A1MAPTMEN1KMT2AALOX15
SCHEMBL519112 0.61 KDM4E (0.48) ALDH1A1MAPTTP53MEN1KMT2A
SCHEMBL15603108 0.61 EPHX2 (0.63) MAPTMEN1KMT2AEPHX2NPC1
SCHEMBL15603109 0.61 EPHX2 (0.63) MAPTMEN1KMT2AEPHX2NPC1
SCHEMBL511435 0.61 POLB (0.56) ALDH1A1MAPTTDP1TP53MEN1
SCHEMBL11577537 0.61 MAPT (0.64) ALDH1A1MAPTTDP1TP53MEN1
SCHEMBL511436 0.61 POLB (0.56) ALDH1A1MAPTTDP1TP53MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2017-04-27 US disclosed
US-9550756-B2 Pyridazinone compounds as phosphodiesterase inhibitors and methods of treating disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-24 US disclosed
US-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICAL (JP) 2015-04-09 US 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-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B ALDH1A1 331/4885MAPT 4201/4885TDP1 135/4885
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B ALDH1A1 343/4885MAPT 4321/4885TDP1 160/4885

“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.