SCHEMBL15868313

SCHEMBL15868313

CCS(=O)(=O)c1ccc[n+]([O-])c1-c1nc2cc(C)cnc2n1C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
PDE10A Q9Y233 3/20 0.33
ACSS2 Q9NR19 1/20 0.32
AKT1 P31749 2/20 0.31
AKT2 P31751 2/20 0.31
CNR2 P34972 1/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL15863356 0.87 POLB (0.43) ACSS2
SCHEMBL15868342 0.82 ACSS2 (0.33) ACSS2CNR2CA12CA9
SCHEMBL17049516 0.82 CA12 (0.42) ACSS2CNR2CA12CA9NPC1
SCHEMBL10249372 0.81 BRD4 (0.34) BRD4PDE10AAKT1AKT2NPC1
SCHEMBL15412773 0.81 BRD4 (0.40) BRD4PDE10AAKT1AKT2
SCHEMBL15868328 0.80 POLB (0.38) BRD4CNR2
SCHEMBL15275099 0.79 PDE10A (0.41) BRD4PDE10AAKT1AKT2CA12
SCHEMBL29549778 0.76 CA12 (0.36) ACSS2CNR2CA12CA9NPC1
SCHEMBL17941388 0.76 CA12 (0.36) ACSS2CNR2CA12CA9NPC1
SCHEMBL18854920 0.75 BRD4 (0.38) BRD4PDE10AAKT1AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9974307-B2 Composition and method for controlling pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-22 US disclosed
US-9883675-B2 Method for controlling pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-06 US disclosed
US-9854805-B2 Composition and method for controlling pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-02 US disclosed
US-9723835-B2 Pest control composition and method for controlling pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 US disclosed
US-9549559-B2 Composition and method for controlling pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-01-24 US disclosed
US-9403771-B2 Fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-02 US disclosed
US-20160159743-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2016-06-09 US disclosed
US-9353110-B2 Fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-05-31 US disclosed
US-20160009715-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-01-14 US disclosed
US-20150366208-A1 METHOD FOR CONTROLLING PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-24 US disclosed
US-20150366207-A1 COMPOSITION AND METHOD FOR CONTROLLING PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-24 US disclosed
US-20150359223-A1 COMPOSITION AND METHOD FOR CONTROLLING PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-17 US disclosed
US-20150359219-A1 PEST CONTROL COMPOSITION AND METHOD FOR CONTROLLING PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-17 US disclosed
US-20150359222-A1 COMPOSITION AND METHOD FOR CONTROLLING PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-17 US disclosed
US-9120823-B2 Fused heterocyclic compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-09-01 US disclosed
US-20150197532-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-16 US disclosed
US-9018134-B2 Fused heterocyclic compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-04-28 US disclosed
US-20140194290-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-07-10 US 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 (9 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-20160159743-A1 FUSED HETEROCYCLIC COMPOUND NR0B1, NR4A1, NR0B2 BRD4 1036/4885PDE10A 2974/4885ACSS2 1973/4885
US-20150366207-A1 COMPOSITION AND METHOD FOR CONTROLLING PESTS NIT2, CRY1, CNPY2 BRD4 4227/4885PDE10A 534/4885ACSS2 3863/4885
US-20150359222-A1 COMPOSITION AND METHOD FOR CONTROLLING PESTS TH, TCOF1, BLVRB BRD4 2315/4885PDE10A 2009/4885ACSS2 4751/4885
US-20140194290-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL NR0B1, NR4A1, NR2C2 BRD4 1526/4885PDE10A 2111/4885ACSS2 2025/4885
US-20160009715-A1 FUSED HETEROCYCLIC COMPOUND NR0B1, NR4A1, NR0B2 BRD4 1036/4885PDE10A 2974/4885ACSS2 1973/4885
US-20150359223-A1 COMPOSITION AND METHOD FOR CONTROLLING PESTS PNPO, NAMPT, NNT BRD4 2700/4885PDE10A 893/4885ACSS2 4732/4885
US-20150359219-A1 PEST CONTROL COMPOSITION AND METHOD FOR CONTROLLING PEST ABAT, PNPO, GABBR1 BRD4 751/4885PDE10A 877/4885ACSS2 2237/4885
US-20150366208-A1 METHOD FOR CONTROLLING PESTS BROX, RNGTT, NOS1 BRD4 3087/4885PDE10A 2848/4885ACSS2 2830/4885
US-20150197532-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL NR0B1, NR4A1, NR2C2 BRD4 1526/4885PDE10A 2111/4885ACSS2 2025/4885

“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.