SCHEMBL1948802

SCHEMBL1948802

CC1(C)N=C(c2cnc3c(F)cccc3c2)c2ccccc2OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
KDM4E B2RXH2 2/20 0.33
BACE1 P56817 4/20 0.32
KCNH2 Q12809 3/20 0.32
NPC1 O15118 2/20 0.32
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
STIM1 Q13586 1/20 0.30
ORAI1 Q96D31 1/20 0.30
PARP1 P09874 1/20 0.30

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
SCHEMBL1951201 0.88 ABCB1 (0.38) ABCB1ABCG2KDM4ESTIM1ORAI1
SCHEMBL2872223 0.82 PDGFRB (0.40)
SCHEMBL4412921 0.82 ABCB1 (0.39) ABCB1ABCG2KDM4ENPC1ALOX5AP
SCHEMBL29432957 0.82 ABCB1 (0.39) ABCB1ABCG2KDM4ENPC1ALOX5AP
SCHEMBL27177305 0.81 ABCB1 (0.35) ABCB1ABCG2KDM4EBACE1NPC1
SCHEMBL31062969 0.81 ABCB1 (0.35) ABCB1ABCG2KDM4EBACE1NPC1
SCHEMBL1666323 0.81 ABCB1 (0.37) ABCB1ABCG2KDM4EBACE1KCNH2
SCHEMBL31064771 0.81 ABCB1 (0.37) ABCB1ABCG2KDM4EBACE1KCNH2
SCHEMBL31064613 0.81 ABCB1 (0.37) ABCB1ABCG2KDM4EBACE1KCNH2
SCHEMBL1666915 0.80 ABCB1 (0.35) ABCB1ABCG2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2314583-B1 NITROGENATED HETEROCYCLIC DERIVATIVE, AND AGRICULTURAL OR HORTICULTURAL BACTERICIDAL AGENT NIPPON SODA CO (JP) 2015-02-25 EP disclosed
US-8557738-B2 Nitrogen-containing heterocyclic derivative and fungicide for agricultural and horticultural use NIPPON SODA CO., LTD. (JP) 2013-10-15 US disclosed
US-20110136782-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE NIPPON SODA CO., LTD (JP) 2011-06-09 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-20110136782-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE CBR3, NOS1, CBR1 ABCB1 1449/4885ABCG2 1123/4885KDM4E 1580/4885

“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.