SCHEMBL2808797

SCHEMBL2808797

COC(=O)C(C)=CSc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.41
MTNR1B P49286 4/20 0.41
HPGD P15428 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
PLIN1 O60240 1/20 0.40
HTT P42858 1/20 0.40
PLIN5 Q00G26 1/20 0.40
ABHD5 Q8WTS1 1/20 0.40
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
NAPRT Q6XQN6 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX5 P09917 1/20 0.36
AKR1C3 P42330 1/20 0.36
KMT2A Q03164 2/20 0.35
KCNN4 O15554 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
SCHEMBL2808791 1.00 MTNR1A (0.41) MTNR1AMTNR1BHPGDALDH1A1MAPT
SCHEMBL12851418 0.84 ALDH1A1 (0.42) HPGDALDH1A1MAPTLMNANPSR1
SCHEMBL12851391 0.83 MAPT (0.40) HPGDALDH1A1MAPTLMNANPSR1
SCHEMBL12851390 0.83 NPC1 (0.39) HPGDALDH1A1MAPTLMNANPSR1
SCHEMBL22572654 0.81 MEN1 (0.50) HPGDALDH1A1MAPTLMNANPSR1
SCHEMBL2812007 0.81 AKR1C3 (0.50) MTNR1AMTNR1BHPGDALDH1A1MAPT
SCHEMBL2812008 0.81 AKR1C3 (0.50) MTNR1AMTNR1BHPGDALDH1A1MAPT
SCHEMBL3037196 0.81 ALDH1A1 (0.39) HPGDALDH1A1MAPTLMNANPSR1
SCHEMBL3037192 0.81 ALDH1A1 (0.39) HPGDALDH1A1MAPTLMNANPSR1
SCHEMBL2812455 0.79 LMNA (0.38) HPGDALDH1A1MAPTLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101808986-B Imidate compound and use thereof for pest control SUMITOMO CHEMICAL CO 2013-10-02 CN disclosed
US-8318981-B2 Imidate compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-27 US disclosed
US-8278473-B2 Alpha, beta-unsaturated imidate compound and pesticidal composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-02 US disclosed
US-20100240729-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-23 US disclosed
US-20100210683-A1 IMIDATE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-08-19 US disclosed
CN-101808986-A Imidate compound and use thereof for pest control SUMITOMO CHEMICAL CO 2010-08-18 CN disclosed
EP-2183215-A2 IMIDATE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Company, Limited (JP) 2010-05-12 EP disclosed
WO-2009064031-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-22 WO disclosed
WO-2009014267-A2 IMIDATE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-29 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 (2 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-20100240729-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME OXER1, CBR1, DEGS1 MTNR1A 637/4885MTNR1B 1298/4885HPGD 2145/4885
US-20100210683-A1 IMIDATE COMPOUND AND USE THEREOF FOR PEST CONTROL CYP1A1, CYC1, C1S MTNR1A 230/4885MTNR1B 731/4885HPGD 2588/4885

“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.