SCHEMBL16625708

SCHEMBL16625708

CCC(=O)/C(=N\Nc1ccc(C)cc1F)C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
NPC1 O15118 2/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 4/20 0.36
CSF1R P07333 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
P2RX7 Q99572 1/20 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
SCHEMBL16627463 0.89 MAPT (0.41) MAPTCYP1A2CYP2C9CYP2C19HPGD
SCHEMBL10258897 0.86 MAPT (0.44) MAPTTDP1KDM4E
SCHEMBL10258522 0.83 KDM4E (0.46) MAPTHPGDRAB9ASMN1; SMN2NPC1
SCHEMBL10266989 0.82 MAPT (0.46) MAPTRAB9ASMN1; SMN2TDP1KDM4E
SCHEMBL18399501 0.80 RAB9A (0.43) MAPTCYP1A2CYP2C9CYP2C19HPGD
SCHEMBL10258330 0.79 MAPT (0.47) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL10259143 0.79 MAPT (0.41) MAPTRAB9ASMN1; SMN2KMT2ATDP1
SCHEMBL25078369 0.77 MAPT (0.47) MAPTCYP1A2CYP2C19RAB9ASMN1; SMN2
SCHEMBL31033107 0.77 MAPT (0.47) MAPTCYP1A2CYP2C19RAB9ASMN1; SMN2
SCHEMBL29251090 0.77 MAPT (0.47) MAPTCYP1A2CYP2C19RAB9ASMN1; SMN2

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 MAPT 4201/4885CYP1A2 116/4885CYP2C9 659/4885

“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.