SCHEMBL9952891

SCHEMBL9952891

CCSc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1NC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 7/20 0.52
ALDH1A1 P00352 4/20 0.49
PKM P14618 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 2/20 0.48
ALOX15 P16050 1/20 0.48
HPGD P15428 3/20 0.47
TRPV1 Q8NER1 1/20 0.47
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KCNMA1 Q12791 1/20 0.44
DDR1 Q08345 1/20 0.43

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
SCHEMBL9952288 0.83 RXFP1 (0.48) RXFP1ALDH1A1PKMTDP1MAPT
SCHEMBL9952069 0.80 HSD17B10 (0.50) RXFP1ALDH1A1PKMTDP1MAPT
SCHEMBL9952680 0.79 RXFP1 (0.49) RXFP1ALDH1A1PKMTDP1MAPT
SCHEMBL29431650 0.79 CYP2C19 (0.39) ALDH1A1MAPTHPGDKDM4EDDR1
SCHEMBL14684604 0.79 CYP2C19 (0.39) ALDH1A1MAPTHPGDKDM4EDDR1
SCHEMBL16666852 0.78 TRPV1 (0.46) RXFP1HPGDTRPV1KDM4EKCNMA1
SCHEMBL15427214 0.78 RXFP1 (0.50) RXFP1ALDH1A1PKMTDP1MAPT
SCHEMBL10281061 0.78 KMT2A (0.55) RXFP1HPGDTRPV1KDM4EKCNMA1
SCHEMBL19724361 0.78 KDM4E (0.40) ALDH1A1MAPTMAPK1HPGDKDM4E
SCHEMBL21869893 0.77 ACSS2 (0.36) RXFP1ALDH1A1HPGDKDM4EDDR1

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-3006429-B1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL CO (JP) 2019-02-06 EP disclosed
EP-2655337-B1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL CO (JP) 2016-11-23 EP disclosed
EP-3006429-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL CO., LTD. (JP) 2016-04-13 EP disclosed
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
EP-2865266-A1 PEST CONTROL COMPOSITION FOR HARMFUL ARTHROPODS, AND PEST CONTROL METHOD FOR HARMFUL ARTHROPODS Sumitomo Chemical Company, Limited (JP) 2015-04-29 EP 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
EP-2655337-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF Sumitomo Chemical Company Limited (JP) 2013-10-30 EP disclosed
WO-2012086848-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-28 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 (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 RXFP1 39/4885ALDH1A1 3178/4885PKM 3818/4885
US-20150148308-A1 PEST CONTROL COMPOSITION FOR HARMFUL ARTHROPODS, AND PEST CONTROL METHOD FOR HARMFUL ARTHROPODS SFXN1, OSR1, PIR RXFP1 2173/4885ALDH1A1 2709/4885PKM 2152/4885
US-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL NR4A1, NR2C2, NR0B1 RXFP1 39/4885ALDH1A1 3047/4885PKM 3780/4885

“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.