SCHEMBL7868566

SCHEMBL7868566

CCCS(=O)(=O)NCCCCn1c(=O)c2c(C)nc3cccc1n32

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HRH1 P35367 2/20 0.33
KCNH2 Q12809 2/20 0.33
TLR7 Q9NYK1 1/20 0.33
HTT P42858 3/20 0.33
TDP1 Q9NUW8 2/20 0.32
ADORA3 P0DMS8 3/20 0.32
ALDH1A1 P00352 3/20 0.31
CREBBP Q92793 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HPGD P15428 1/20 0.31
PDE10A Q9Y233 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
NPC1 O15118 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 1/20 0.30

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
Hydrochloric Acid SCHEMBL7870671 0.99 HRH1 (0.34) KDM4EHSD17B10HRH1KCNH2TLR7
SCHEMBL7868943 0.93 MEN1 (0.38) HRH1KCNH2TLR7HTTTDP1
Hydrochloric Acid SCHEMBL7871692 0.92 MEN1 (0.37) HRH1KCNH2TLR7HTTTDP1
SCHEMBL7872398 0.88 TDP1 (0.42) TLR7HTTTDP1ALDH1A1
Hydrochloric Acid SCHEMBL7871546 0.87 TDP1 (0.41) HRH1KCNH2TLR7HTTTDP1
SCHEMBL7871625 0.87 TDP1 (0.38) TLR7HTTTDP1ALDH1A1
Hydrochloric Acid SCHEMBL7870301 0.86 TDP1 (0.38) TLR7HTTTDP1ALDH1A1
SCHEMBL7872380 0.86 HTT (0.32) KDM4ETLR7HTTTDP1ALDH1A1
SCHEMBL7871580 0.85 TDP1 (0.32) KDM4EHTTTDP1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL7875443 0.85 HTT (0.31) KDM4EHTTTDP1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010051631-A1 Tricyclic compounds, their production and use TAKATANI MUNEO (JP) 2001-12-13 US disclosed
US-6251905-B1 Tricyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-26 US disclosed
EP-0771319-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-05-07 EP disclosed
WO-1996002542-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-01 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 (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-20010051631-A1 Tricyclic compounds, their production and use PDGFA, HGF, REN KDM4E 834/4885HSD17B10 391/4885HRH1 1861/4885

“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.