SCHEMBL1666334

SCHEMBL1666334

c1ccc2c(c1)OC1(CC1)CN=C2c1cnc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.40
PDGFRB P09619 3/20 0.40
PDGFRA P16234 3/20 0.40
CYP2A6 P11509 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
BRD4 O60885 2/20 0.38
CREBBP Q92793 2/20 0.38
TDP2 O95551 1/20 0.37
BIRC5 O15392 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
TOP2A P11388 1/20 0.36
TOP2B Q02880 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 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
SCHEMBL1950449 0.85 NISCH (0.40) NISCHPDGFRBPDGFRACYP2A6AKR1C3
SCHEMBL1949982 0.84 NISCH (0.40) NISCHPDGFRBPDGFRACYP2A6AKR1C3
SCHEMBL1949218 0.82 NISCH (0.38) NISCHPDGFRBPDGFRACYP2A6AKR1C3
SCHEMBL1946900 0.81 NISCH (0.38) NISCHPDGFRBPDGFRACYP2A6AKR1C3
SCHEMBL1666331 0.81 AKR1C3 (0.38) NISCHPDGFRBPDGFRACYP2A6AKR1C3
SCHEMBL1666857 0.81 BRD4 (0.37) NISCHPDGFRBPDGFRACYP2A6AKR1C3
SCHEMBL1666845 0.81 BRD4 (0.39) NISCHPDGFRBPDGFRACYP2A6BRD4
SCHEMBL4300871 0.78 BACE1 (0.41) NISCHPDGFRBPDGFRACYP2A6AKR1C3
SCHEMBL1948019 0.76 NISCH (0.46) NISCHPDGFRBPDGFRACYP2A6BRD4
SCHEMBL30084730 0.76 NISCH (0.46) NISCHPDGFRBPDGFRACYP2A6BRD4

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
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
EP-2314583-A1 NITROGENATED HETEROCYCLIC DERIVATIVE, AND AGRICULTURAL OR HORTICULTURAL BACTERICIDAL AGENT Nippon Soda Co., Ltd. (JP) 2011-04-27 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 (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 NISCH 170/4885PDGFRB 3925/4885PDGFRA 4146/4885

“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.