SCHEMBL1610313

SCHEMBL1610313

COC(=O)c1nc(C2CC2)nc(Nc2ccc(Cl)c(Cl)c2)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.43
ADORA3 P0DMS8 5/20 0.41
DHODH Q02127 2/20 0.41
SLC6A4 P31645 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
RCE1 Q9Y256 1/20 0.39
MAPT P10636 3/20 0.39
CYP1A2 P05177 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
P2RX3 P56373 1/20 0.38
TMEM97 Q5BJF2 4/20 0.37
SIGMAR1 Q99720 3/20 0.37

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
SCHEMBL1610098 0.85 PDE5A (0.44) SLC6A3KDM4EMAPTNPC1RAB9A
SCHEMBL15033697 0.81 ADORA3 (0.42) ADORA3DHODHKDM4EMAPTCYP1A2
SCHEMBL11913414 0.76 SMN1; SMN2 (0.38) SLC6A3KDM4EPKMRCE1MAPT
SCHEMBL12712724 0.75 PDE10A (0.46) ADORA3CYP3A4CYP2D6
SCHEMBL1610047 0.75 PDE10A (0.49)
SCHEMBL1609687 0.75 PDE10A (0.45) SLC6A3CYP3A4CYP2D6
SCHEMBL1609362 0.75 PDE10A (0.40) SLC6A3KDM4EMEN1KMT2A
SCHEMBL1610282 0.75 PDE10A (0.43)
SCHEMBL718159 0.74 PDE10A (0.47) SLC6A3CYP3A4CYP2D6
SCHEMBL1610170 0.74 PDE10A (0.50) KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
WO-2009081112-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-02 WO 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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 SLC6A3 2437/4885ADORA3 826/4885DHODH 15/4885

“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.