SCHEMBL1109958

SCHEMBL1109958

CCCCC1CCCC([O])(CCCC)C1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
ARG1 P05089 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL983172 0.80 CYP1A2 (0.50) CYP1A2TDP1LMNAMAPK1HTT
SCHEMBL1109959 0.77 CYP1A2 (0.47) CYP1A2TDP1MAPTLMNAMAPK1
Urea SCHEMBL1836708 0.76 CYP1A2 (0.42) CYP1A2TDP1MAPTLMNAMAPK1
SCHEMBL27929968 0.74 CYP1A2 (0.52) CYP1A2TDP1LMNAMAPK1HTT
SCHEMBL28312982 0.74 CYP1A2 (0.52) CYP1A2TDP1MAPTLMNAMAPK1
SCHEMBL27139272 0.74
SCHEMBL6291349 0.74 CETP (0.33) LMNA
SCHEMBL11829210 0.72 CETP (0.35) CYP1A2
SCHEMBL1840096 0.72 CETP (0.35) CYP1A2
SCHEMBL11125854 0.69 CYP1A2 (0.41) CYP1A2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9648879-B2 Co-crystal and method for producing same NIPPON SODA CO., LTD. (JP) 2017-05-16 US disclosed
US-20160278380-A1 CO-CRYSTAL AND METHOD FOR PRODUCING SAME NIPPON SODA CO., LTD. (JP) 2016-09-29 US disclosed
EP-3069610-A1 CO-CRYSTAL AND METHOD FOR PRODUCING SAME Nippon Soda Co., Ltd. (JP) 2016-09-21 EP disclosed
EP-2711361-B1 NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE NIPPON SODA CO (JP) 2016-06-29 EP disclosed
CN-103582633-B Nitrogen-containing heterocyclic compound and agricultural/horticultural bactericide NIPPON SODA CO.,LTD. (JP) 2016-01-20 CN disclosed
EP-2484672-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND SALT THEREOF, AND HERBICIDE FOR AGRICULTURAL AND HORTICULTURAL USE NIPPON SODA CO (JP) 2015-07-15 EP disclosed
US-9060517-B2 Nitrogenated heterocyclic compound and agricultural or horticultural fungicide NIPPON SODA CO., LTD. (JP) 2015-06-23 US disclosed
US-9062024-B2 Nitrogen-containing heterocyclic compound and salt thereof, and a fungicide for agricultural and horticultural use NIPPON SODA CO., LTD. (JP) 2015-06-23 US disclosed
EP-2314583-B1 NITROGENATED HETEROCYCLIC DERIVATIVE, AND AGRICULTURAL OR HORTICULTURAL BACTERICIDAL AGENT NIPPON SODA CO (JP) 2015-02-25 EP disclosed
CN-102844304-B Nitrogen-containing heterocyclic compound and agricultural/horticultural bactericide NIPPON SODA CO 2014-12-31 CN disclosed
EP-2711361-A1 NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE Nippon Soda Co., Ltd. (JP) 2014-03-26 EP disclosed
US-20140073792-A1 NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE NIPPON SODA CO., LTD. (JP) 2014-03-13 US 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-20120289702-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND AGRICULTURAL FUNGICIDE NIPPON SODA CO., LTD. (JP) 2012-11-15 US disclosed
EP-2522658-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND AGRICULTURAL/HORTICULTURAL GERMICIDE Nippon Soda Co., Ltd. (JP) 2012-11-14 EP disclosed
EP-2484672-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND SALT THEREOF, AND BACTERICIDE FOR AGRICULTURAL AND HORTICULTURAL USE Nippon Soda Co., Ltd. (JP) 2012-08-08 EP disclosed
US-20120184732-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND SALT THEREOF, AND A FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE NIPPON SODA CO., LTD. 2012-07-19 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
EP-2280009-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS AND FUNGICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nippon Soda Co., Ltd. (JP) 2011-02-02 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 (5 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-20120289702-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND AGRICULTURAL FUNGICIDE CBR3, CBR1, NOX3 CYP1A2 195/4885TDP1 3967/4885MAPT 4773/4885
US-20140073792-A1 NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE CBR3, CBR1, NOX3 CYP1A2 58/4885TDP1 3433/4885MAPT 4779/4885
US-20120184732-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND SALT THEREOF, AND A FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE CYP51A1, NOS1, NPR1 CYP1A2 120/4885TDP1 2323/4885MAPT 3342/4885
US-20160278380-A1 CO-CRYSTAL AND METHOD FOR PRODUCING SAME DDT, CCDC22, MLN CYP1A2 1833/4885TDP1 1923/4885MAPT 442/4885
US-20110136782-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE CBR3, NOS1, CBR1 CYP1A2 70/4885TDP1 3115/4885MAPT 4192/4885

“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.