SCHEMBL18979040

SCHEMBL18979040

CO/[C]=N/c1cc(C(F)(F)F)ccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.40
PDE2A O00408 2/20 0.37
KIF11 P52732 1/20 0.34
CFTR P13569 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
LRRK2 Q5S007 1/20 0.33
RAB9A P51151 1/20 0.33
CYP26A1 O43174 2/20 0.33
CYP24A1 Q07973 1/20 0.33
ACHE P22303 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
AR P10275 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL18979039 1.00 CES2 (0.40) CES2PDE2AKIF11CFTRL3MBTL1
SCHEMBL1758521 0.81 MEN1 (0.41) PDE2ACYP3A4CYP2D6MAPT
SCHEMBL1758520 0.81 MEN1 (0.41) PDE2ACYP3A4CYP2D6MAPT
SCHEMBL12535901 0.79 CES2 (0.46) CES2PDE2ARXRARXRBRXRG
SCHEMBL31135808 0.79 CES2 (0.46) CES2PDE2ARXRARXRBRXRG
SCHEMBL7057873 0.79 CES2 (0.42) CES2PDE2ARXRARXRBRXRG
SCHEMBL16488279 0.72 CES2 (0.46) CES2PDE2AKIF11LRRK2CYP3A4
SCHEMBL28770910 0.68 PDE2A (0.50) CES2PDE2AMETAP2
SCHEMBL6118430 0.67 L3MBTL1 (0.44) L3MBTL1RAB9ACYP3A4CYP2D6MAPT
SCHEMBL178010 0.67 CYP3A4 (0.50) KIF11CFTRL3MBTL1RAB9ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3181563-B1 CONDENSED 11-MEMBER RING COMPOUND AND AGRICULTURE AND HORTICULTURAL FUNGICIDE COMPRISING SAME SDS BIOTECH CORP (JP) 2019-02-06 EP disclosed
US-10104891-B2 Fused 11-membered compounds and agricultural/horticultural fungicides containing them SDS BIOTECH K.K. (JP) 2018-10-23 US disclosed
US-20180235225-A1 FUSED 11-MEMBERED COMPOUNDS AND AGRICULTURAL/HORTICULTURAL FUNGICIDES CONTAINING THEM BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2018-08-23 US disclosed
US-9980487-B2 Fused 11-membered compounds and agricultural/horticultural fungicides containing them SDS BIOTECH K.K. (JP) 2018-05-29 US disclosed
US-20170231226-A1 FUSED 11-MEMBERED COMPOUNDS AND AGRICULTURAL/HORTICULTURAL FUNGICIDES CONTAINING THEM SDS BIOTECH K.K. (JP) 2017-08-17 US disclosed
EP-3181563-A1 CONDENSED 11-MEMBER RING COMPOUND AND AGRICULTURE AND HORTICULTURAL FUNGICIDE COMPRISING SAME SDS Biotech K. K. (JP) 2017-06-21 EP 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 (3 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-20170231226-A1 FUSED 11-MEMBERED COMPOUNDS AND AGRICULTURAL/HORTICULTURAL FUNGICIDES CONTAINING THEM CYP51A1, CYP4Z1, ERG28 CES2 1287/4885PDE2A 731/4885KIF11 677/4885
US-10104891-B2 Fused 11-membered compounds and agricultural/horticultural fungicides containing them CYP51A1, CYP4Z1, ERG28 CES2 1287/4885PDE2A 731/4885KIF11 677/4885
US-20180235225-A1 FUSED 11-MEMBERED COMPOUNDS AND AGRICULTURAL/HORTICULTURAL FUNGICIDES CONTAINING THEM CYP51A1, CYP4Z1, ERG28 CES2 1287/4885PDE2A 731/4885KIF11 677/4885

“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.