SCHEMBL16279869

SCHEMBL16279869

CCS(=O)(=O)c1ccccc1-c1nc2ccc(O)nc2n1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 10/20 0.36
HSD11B1 P28845 2/20 0.35
ACSS2 Q9NR19 1/20 0.35
COMT P21964 1/20 0.34
NR1I2 O75469 1/20 0.33
USP1 O94782 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
ATR Q13535 1/20 0.32

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
SCHEMBL15426394 0.87 HSD11B1 (0.36) NAAAHSD11B1ACSS2NR1I2USP1
SCHEMBL10281169 0.82 USP1 (0.42) ACSS2USP1
SCHEMBL9952255 0.80 ALOX5AP (0.36) NAAAHSD11B1ACSS2COMTNR1I2
SCHEMBL15412773 0.77 BRD4 (0.40) NAAAHSD11B1NR1I2USP1KDM4E
SCHEMBL15412419 0.75 ALOX5AP (0.36) NAAAHSD11B1ACSS2NR1I2USP1
SCHEMBL15412733 0.75 AKT1 (0.39) NAAAHSD11B1NR1I2USP1KDM4E
SCHEMBL10280731 0.74 HSD11B1 (0.38) HSD11B1ACSS2NR1I2USP1ATR
SCHEMBL15412482 0.74 USP30 (0.40) HSD11B1NR1I2USP1ALDH1A1GAA
SCHEMBL15426342 0.73 NLRP3 (0.45) ACSS2NR1I2KDM4EALDH1A1HPGD
SCHEMBL15426433 0.73 ALOX5AP (0.35) NAAAHSD11B1ACSS2NR1I2USP1

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 2 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-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-12-11 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 (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-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL NR4A1, NR2C2, NR0B1 NAAA 451/4885HSD11B1 1639/4885ACSS2 2897/4885

“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.