SCHEMBL480070

SCHEMBL480070

COc1ccc(CC=O)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.43
HTR2A P28223 3/20 0.43
KCNH2 Q12809 2/20 0.43
APLNR P35414 1/20 0.43
ALDH1A1 P00352 2/20 0.41
ERN1 O75460 1/20 0.40
TRIM24 O15164 1/20 0.40
TYR P14679 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP2A6 P11509 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR1A P08908 1/20 0.38
P2RX7 Q99572 1/20 0.38
TCF4 P15884 1/20 0.38
CTNNB1 P35222 1/20 0.38

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
SCHEMBL28034772 0.83 MEN1 (0.42) SLC6A4HTR2AKCNH2APLNRALDH1A1
SCHEMBL8340513 0.81 SLC6A4 (0.47) SLC6A4HTR2AKCNH2APLNRALDH1A1
SCHEMBL14793788 0.80 L3MBTL1 (0.44) ALDH1A1MEN1KMT2ATDP1
SCHEMBL1613798 0.80 APLNR (0.62) HTR2AAPLNRALDH1A1MEN1KMT2A
SCHEMBL2310172 0.80 APLNR (0.44) HTR2AAPLNRALDH1A1ERN1TRIM24
SCHEMBL578049 0.80 ALDH1A1 (0.48) APLNRALDH1A1ERN1TRIM24TYR
SCHEMBL2559819 0.80 HTT (0.45) APLNRALDH1A1ERN1TRIM24TYR
SCHEMBL7667135 0.79 SLC6A4 (0.46) SLC6A4HTR2AKCNH2APLNRALDH1A1
Ammonia Solution, Strong SCHEMBL27347505 0.79 SLC6A4 (0.46) SLC6A4HTR2AKCNH2APLNRALDH1A1
SCHEMBL5747779 0.79 MAOA (0.40) SLC6A4HTR2AKCNH2MEN1KMT2A

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
EP-2757093-B1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC (JP) 2016-12-07 EP disclosed
CN-103796992-B Guanidinobenzoic acid compound ASTELLAS PHARMA INC. (JP) 2016-04-27 CN disclosed
US-9199927-B2 Guanidinobenzoic acid compound ASTELLAS PHARMA INC. (JP) 2015-12-01 US disclosed
US-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-25 US disclosed
EP-2757093-A1 GUANIDINOBENZOIC ACID COMPOUND Astellas Pharma Inc. (JP) 2014-07-23 EP disclosed
CN-103796992-A Guanidinobenzoic acid compound ASTELLAS PHARMA INC 2014-05-14 CN disclosed
EP-2411361-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP disclosed
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 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 (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-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND SERPINB1, REN, SPINT2 SLC6A4 3042/4885HTR2A 1950/4885KCNH2 4687/4885

“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.