SCHEMBL16627451

SCHEMBL16627451

CN/C=C/C(=O)c1nn(-c2ccc(Cl)cc2)ccc1=O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
UBE2N P61088 3/20 0.52
MAPT P10636 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
CTDSP1 Q9GZU7 1/20 0.51
KMT2A Q03164 6/20 0.48
POLB P06746 2/20 0.48
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.46
CYP2C9 P11712 1/20 0.45
PKM P14618 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL10258606 1.00 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP3A4UBE2NMAPT
SCHEMBL10258140 0.89 KMT2A (0.62) ALDH1A1CYP1A2CYP3A4UBE2NMAPT
SCHEMBL10291253 0.88 KMT2A (0.48) ALDH1A1CYP1A2CYP3A4UBE2NMAPT
SCHEMBL10258100 0.88 L3MBTL1 (0.63) ALDH1A1CYP1A2CYP3A4UBE2NMAPT
SCHEMBL13259457 0.88 L3MBTL1 (0.63) ALDH1A1CYP1A2CYP3A4UBE2NMAPT
SCHEMBL10266912 0.87 GAA (0.61) ALDH1A1CYP1A2CYP3A4UBE2NMAPT
SCHEMBL18780759 0.87 POLB (0.60) ALDH1A1CYP1A2CYP3A4UBE2NMAPT
SCHEMBL10258089 0.87 POLB (0.60) ALDH1A1CYP1A2CYP3A4UBE2NMAPT
SCHEMBL13259371 0.86 GAA (0.47) ALDH1A1CYP1A2CYP3A4UBE2NMAPT
SCHEMBL10266917 0.86 GAA (0.47) ALDH1A1CYP1A2CYP3A4UBE2NMAPT

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 ALDH1A1 331/4885CYP1A2 116/4885CYP3A4 466/4885

“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.