SCHEMBL1533025

SCHEMBL1533025

CC1(C)CCNC(=O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 0.46
PARP11 Q9NR21 6/20 0.46
PARP1 P09874 6/20 0.46
PDPK1 O15530 1/20 0.46
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
GSK3B P49841 1/20 0.39
TYMS P04818 1/20 0.38
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
RXRA P19793 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
PDK2 Q15119 1/20 0.35
PDK4 Q16654 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
SCHEMBL29556694 0.81 CA12 (0.42) PARP10PARP11PARP1PDPK1CA12
SCHEMBL7099797 0.81 CA12 (0.42) PARP10PARP11PARP1PDPK1CA12
SCHEMBL28981437 0.77 PARP10 (0.51) PARP10PARP11PARP1
SCHEMBL27445670 0.74 HPGD (0.47) PARP10PARP11PARP1RARBRARG
SCHEMBL30993810 0.73 KDM1A (0.53) RARBRARGPDK2PDK4
SCHEMBL397152 0.73 KDM1A (0.53) RARBRARGPDK2PDK4
SCHEMBL15522686 0.72 MEN1 (0.42) PARP10PARP11PARP1
SCHEMBL30205839 0.72 CYP2A6 (0.39) TYMSRARBRARGRXRANPSR1
SCHEMBL1119749 0.72 CYP2A6 (0.39) TYMSRARBRARGRXRANPSR1
SCHEMBL31626806 0.71 BACE1 (0.46) PARP10PARP11PARP1PDPK1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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
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
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-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
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-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-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
WO-2011037128-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND SALT THEREOF, AND BACTERICIDE FOR AGRICULTURAL AND HORTICULTURAL USE 日本曹達株式会社 (JP) 2011-03-31 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-20120184732-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND SALT THEREOF, AND A FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE CYP51A1, NOS1, NPR1 PARP10 4495/4885PARP11 4510/4885PARP1 4756/4885

“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.