SCHEMBL5519425

SCHEMBL5519425

COc1ccc(-c2ccc(Cl)cc2)c(COc2ccc(C#C[Si](C)(C)C)cc2)c1.COc1ccc(-c2ccc(Cl)cc2)c(COc2ccc(C#Cc3cc(C(=O)O)ccc3NC3CCCCC3)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.38
TACR1 P25103 1/20 0.38
CSNK2A2 P19784 6/20 0.37
CSNK2A1 P68400 6/20 0.37
NR1H4 Q96RI1 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGER4 P35408 1/20 0.34
CNR1 P21554 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
TP53 P04637 1/20 0.34
SLC16A3 O15427 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL5524346 0.89 TACR2 (0.39) TACR2TACR1NR1H4PTGDR2FFAR1
SCHEMBL7845547 0.80 NR1H4 (0.36) TACR2TACR1NR1H4PTGDR2HPGD
SCHEMBL6700683 0.77 MAPT (0.46) PTGDR2FFAR1FFAR4HPGDPTGER4
SCHEMBL7840330 0.73 MAPT (0.42) FFAR1FFAR4PTGER4CNR1
SCHEMBL5527483 0.73 NR1H4 (0.51) NR1H4PTGER4
Hydrochloric Acid SCHEMBL5515106 0.72 NR1H4 (0.50) NR1H4PTGER4
SCHEMBL791555 0.70 NR1H4 (0.41) NR1H4FFAR1FFAR4
SCHEMBL5508916 0.69 L3MBTL1 (0.47) NR1H4PTGER4
SCHEMBL5516962 0.69 NR1H4 (0.51) NR1H4FFAR1FFAR4PTGER4
SCHEMBL5514105 0.68 NR1H4 (0.47) NR1H4CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285551-B2 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2007-10-23 US disclosed
US-20070032497-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-7112600-B1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2006-09-26 US disclosed
US-6770666-B2 A THERAPEUTIC AGENT FOR TREATING HEPATITIS C, BASED ON POLYMERASE INHIBITORY ACTIVITY JAPAN TOBACCO INC. (JP) 2004-08-03 US disclosed
EP-1400241-A1 FUSED CYCLIC COMPOUNDS AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-03-24 EP 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-20070032497-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C TACR2 359/4885TACR1 124/4885CSNK2A2 3115/4885

“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.