SCHEMBL16625716

SCHEMBL16625716

CON(C)C(=O)c1nn(-c2ccc(C)cc2C)cc(C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
AMY1A P0DUB6 1/20 0.35
POLB P06746 6/20 0.35
NPSR1 Q6W5P4 1/20 0.34
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 3/20 0.33
HTT P42858 2/20 0.33
COMT P21964 1/20 0.33
MEN1 O00255 2/20 0.32
PDE5A O76074 1/20 0.32
ACHE P22303 1/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ICAM1 P05362 1/20 0.31
SELE P16581 1/20 0.31
PKM P14618 1/20 0.31
DNMT1 P26358 1/20 0.31
RECQL P46063 1/20 0.31
MCL1 Q07820 1/20 0.31

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
SCHEMBL10258699 0.88 GABRA2 (0.30)
SCHEMBL10259308 0.83 CRHR1 (0.36) KMT2AALDH1A1MAPT
SCHEMBL8369380 0.82 MEN1 (0.47) POLBKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL16627481 0.81 KMT2A (0.40) POLBKMT2AALDH1A1MAPTMEN1
SCHEMBL18780771 0.81 MAP2K1 (0.36) KMT2AALDH1A1MAPTHTTMEN1
SCHEMBL10259058 0.79 MET (0.33) SMN1; SMN2
SCHEMBL10266996 0.79 MET (0.34)
SCHEMBL10266977 0.78 ALDH1A1 (0.37) KDM4EPOLBNPSR1KMT2AALDH1A1
SCHEMBL18399516 0.77 MEN1 (0.38) POLBKMT2AMAPTMEN1TDP1
SCHEMBL10258903 0.76 PDE10A (0.38) KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B KDM4E 1707/4885AMY1A 706/4885POLB 1307/4885

“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.