SCHEMBL1666332

SCHEMBL1666332

CC1(C)CNC(=O)c2cc(Cl)ccc2O1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
F7 P08709 1/20 0.43
PARP1 P09874 1/20 0.43
F3 P13726 1/20 0.43
PARP10 Q53GL7 1/20 0.43
PPOX P50336 1/20 0.42
MGAT2 Q10469 1/20 0.41
MAPT P10636 2/20 0.40
CES1 P23141 2/20 0.39
TGM2 P21980 2/20 0.39
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
MAOB P27338 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
JAK2 O60674 1/20 0.35
NTRK1 P04629 1/20 0.35
MET P08581 1/20 0.35
FGFR1 P11362 1/20 0.35
PRKACA P17612 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
SCHEMBL1666910 0.78 KDM4E (0.55) KDM4EPARP1PARP10MAPTCES1
SCHEMBL69403 0.76 MAPT (0.67) KDM4EMAPTMAOB
SCHEMBL17026771 0.74 HTR2C (0.40) KDM4ECES1TGM2TRPV1
SCHEMBL23160411 0.73 KDM4E (0.57) KDM4EPARP1PARP10MAPTCES1
SCHEMBL2433995 0.70 PPOX (0.41) KDM4EPPOXMAPTCES1TGM2
SCHEMBL3125131 0.70 FABP6 (0.67) F7PARP1F3PARP10PPOX
SCHEMBL14991656 0.70 HTR2A (0.47) F7PARP1F3PARP10PPOX
SCHEMBL18322058 0.69 PNMT (0.41) KDM4E
SCHEMBL30236450 0.69 PNMT (0.41) KDM4E
SCHEMBL552228 0.68 HDAC3 (0.57) F7PARP1F3PARP10PPOX

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 5 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
WO-2010018686-A1 NITROGENATED HETEROCYCLIC DERIVATIVE, AND AGRICULTURAL OR HORTICULTURAL BACTERICIDAL AGENT 日本曹達株式会社 (JP) 2010-02-18 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-20110136782-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE CBR3, NOS1, CBR1 KDM4E 1580/4885F7 1359/4885PARP1 4136/4885

“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.