SCHEMBL16627447

SCHEMBL16627447

CN/C=C/C(=O)c1nn(-c2ccccc2C)ccc1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACKR3 P25106 1/20 0.34
UBE2N P61088 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
CACNA2D1 P54289 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL10258128 1.00 GAA (0.42) GAACYP2C9KMT2AALDH1A1POLB
SCHEMBL10258269 0.87 GAA (0.41) GAACYP2C9KMT2AALDH1A1POLB
SCHEMBL13259389 0.87 GAA (0.41) GAACYP2C9KMT2AALDH1A1POLB
SCHEMBL10258645 0.87 GAA (0.41) GAACYP2C9KMT2AALDH1A1POLB
SCHEMBL18399504 0.85 GAA (0.45) GAACYP2C9KMT2AALDH1A1POLB
SCHEMBL10291024 0.85 GAA (0.45) GAACYP2C9KMT2AALDH1A1POLB
SCHEMBL16627461 0.84 GAA (0.39) GAACYP2C9KMT2AALDH1A1POLB
SCHEMBL10266912 0.84 GAA (0.61) GAACYP2C9KMT2AALDH1A1POLB
SCHEMBL518699 0.83 RECQL (0.44) GAACYP2C9KMT2AALDH1A1POLB
SCHEMBL518698 0.83 RECQL (0.44) GAACYP2C9KMT2AALDH1A1POLB

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 GAA 852/4885CYP2C9 659/4885KMT2A 1900/4885

“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.