SCHEMBL18399501

SCHEMBL18399501

COCC(=O)/C(=N\Nc1cc(C)ccc1F)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.41
MAPT P10636 4/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
PKM P14618 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.37
CSF1R P07333 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GLA P06280 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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 0.91 MAPT (0.41) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL519017 0.88 MAPT (0.38) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL519018 0.88 MAPT (0.38) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL7790215 0.84 KDM4E (0.45) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL518866 0.84 KDM4E (0.45) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL518865 0.84 KDM4E (0.45) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL519287 0.81 MAPT (0.37) RAB9AMAPTNPC1ALDH1A1KMT2A
SCHEMBL519288 0.81 MAPT (0.37) RAB9AMAPTNPC1ALDH1A1KMT2A
SCHEMBL13557952 0.81 MAPT (0.37) RAB9AMAPTNPC1ALDH1A1KMT2A
SCHEMBL518655 0.80 MAP2K1 (0.41) MAPTKDM4ETDP1

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-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

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-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B RAB9A 904/4885SMN1; SMN2 3025/4885MAPT 4321/4885

“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.