SCHEMBL829531

SCHEMBL829531

COC(=O)c1cc2c(C#N)cccc2s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.60
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.44

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
SCHEMBL3820914 0.92 SLC9A1 (0.53) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9432130 0.86 HDAC3 (0.48) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9431678 0.82 HDAC3 (0.45) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9432336 0.81 HDAC3 (0.47) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9432903 0.81 HDAC3 (0.44) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL31117978 0.81 SLC9A1 (0.72) SLC9A1MAPK1RPS6KB1CSNK1DGSK3A
SCHEMBL828418 0.80 ICAM1 (0.43) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9432324 0.79 RPS6KB1 (0.47) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL806489 0.79 SLC9A1 (0.58) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL15698911 0.79 HDAC3 (0.52) SLC9A1HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9955689-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-01 US disclosed
US-9894901-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-20 US disclosed
US-20150289506-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-15 US disclosed
US-20150282482-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-08 US disclosed
EP-2926660-A1 METHOD FOR PROMOTING PLANT GROWTH Sumitomo Chemical Company Limited (JP) 2015-10-07 EP disclosed
EP-2923574-A1 METHOD FOR PROMOTING PLANT GROWTH Sumitomo Chemical Company Limited (JP) 2015-09-30 EP disclosed
US-8143307-B2 Benzothiophen-2-carbonylguanidine derivatives, preparation thereof, and pharmaceutical composition containing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-03-27 US disclosed
US-20100004466-A1 Benzothiophen-2-carbonylguanidine derivatives, preparation thereof, and pharmaceutical composition containing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-01-07 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-20150289506-A1 METHOD FOR PROMOTING PLANT GROWTH FGF2, BROX, BOLA2; BOLA2B SLC9A1 1138/4885HDAC3 1609/4885HDAC4 878/4885
US-20100004466-A1 Benzothiophen-2-carbonylguanidine derivatives, preparation thereof, and pharmaceutical composition containing the same TNNI3, TNNT2, SLC9A2 SLC9A1 5/4885HDAC3 1223/4885HDAC4 650/4885
US-20150282482-A1 METHOD FOR PROMOTING PLANT GROWTH BOLA2; BOLA2B, BROX, TET1 SLC9A1 3500/4885HDAC3 1305/4885HDAC4 931/4885

“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.