SCHEMBL15426340

SCHEMBL15426340

CC[S+]([O-])c1ccccc1-c1nc2cc(C)ccc2n1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 1/20 0.44
▸ ACSS2 Q9NR19 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ AGPAT2 O15120 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ AHR P35869 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CA12 O43570 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL9959554 0.85 PDE2A (0.42) KDM4EHSD17B10AGPAT2ALDH1A1CYP1A2
SCHEMBL10249069 0.84 SMN1; SMN2 (0.41) NLRP3ACSS2KDM4EHSD17B10AGPAT2
SCHEMBL15868327 0.82 NPC1 (0.40) NLRP3ACSS2KDM4EHSD17B10AGPAT2
SCHEMBL15426448 0.82 PIK3CA (0.41) NLRP3ACSS2KDM4EHSD17B10AGPAT2
SCHEMBL15412909 0.81 BRD4 (0.38) NLRP3KDM4ECYP1A2MAPTKMT2A
SCHEMBL15426351 0.80 DHODH (0.33) —
SCHEMBL15426347 0.80 DPP4 (0.33) KDM4EALDH1A1CYP1A2HPGD
SCHEMBL15426408 0.79 — —
SCHEMBL15275089 0.76 KDM4E (0.37) NLRP3ACSS2KDM4EHSD17B10AGPAT2
SCHEMBL15426396 0.76 AGTR1 (0.36) PDE10A

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
US-9278983-B2 Fused heterocyclic compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-08 — — US disclosed
US-20150148308-A1 PEST CONTROL COMPOSITION FOR HARMFUL ARTHROPODS, AND PEST CONTROL METHOD FOR HARMFUL ARTHROPODS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-28 — — US disclosed
US-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-12-11 — — US disclosed
US-8853238-B2 Fused heterocyclic compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-10-07 — — US disclosed
US-20140018373-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-16 — — 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 (3 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-20140018373-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF NR4A1, NR2C2, NR0B1 NLRP3 1515/4885ACSS2 3015/4885KDM4E 2981/4885
US-20150148308-A1 PEST CONTROL COMPOSITION FOR HARMFUL ARTHROPODS, AND PEST CONTROL METHOD FOR HARMFUL ARTHROPODS SFXN1, OSR1, PIR NLRP3 465/4885ACSS2 3664/4885KDM4E 1144/4885
US-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL NR4A1, NR2C2, NR0B1 NLRP3 1358/4885ACSS2 2897/4885KDM4E 2968/4885

“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.

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