SCHEMBL1666570

SCHEMBL1666570

CC1(C)CN=C(c2cnc3ccccc3c2)c2cc(Cl)ccc2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
CNR2 P34972 1/20 0.38
BRD4 O60885 3/20 0.37
CREBBP Q92793 2/20 0.37
NISCH Q9Y2I1 1/20 0.37
PDGFRB P09619 4/20 0.36
PDGFRA P16234 4/20 0.36
NR2F2 P24468 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
SERPINE1 P05121 1/20 0.35
CYP2A6 P11509 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CHRM1 P11229 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TMPRSS4 Q9NRS4 1/20 0.34

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 0.88 NISCH (0.40) PARP10PARP11BRD4CREBBPNISCH
SCHEMBL1948345 0.80 BRD4 (0.41) CNR1PARP10PARP11CNR2BRD4
Hydrochloric Acid SCHEMBL1668982 0.80 BRD4 (0.40) CNR1PARP10PARP11CNR2BRD4
SCHEMBL1948336 0.77 BRD4 (0.41) PARP10PARP11BRD4CREBBPNISCH
SCHEMBL1666329 0.77 PDGFRB (0.40) CNR1CNR2BRD4CREBBPPDGFRB
SCHEMBL1666201 0.77 PTPN11 (0.35) CNR1CNR2BRD4CREBBPPDGFRB
SCHEMBL1948091 0.76 PIK3CD (0.32) CNR1CNR2BACE1
SCHEMBL1666206 0.76 BRD4 (0.41) PARP10PARP11CNR2BRD4CREBBP
SCHEMBL1949218 0.76 NISCH (0.38) PARP10PARP11BRD4CREBBPNISCH
SCHEMBL1949982 0.75 NISCH (0.40) PARP10PARP11BRD4CREBBPNISCH

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 CNR1 895/4885PARP10 3764/4885PARP11 3848/4885

“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.