SCHEMBL15876112

SCHEMBL15876112

O=C(OCc1ccccc1)c1cc2ccc(O)cc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.58
GRIN3B O60391 4/20 0.58
GRIN1 Q05586 4/20 0.58
GRIN2A Q12879 4/20 0.58
GRIN2B Q13224 4/20 0.58
GRIN2C Q14957 4/20 0.58
GRIN3A Q8TCU5 4/20 0.58
MMP2 P08253 2/20 0.52
MMP9 P14780 2/20 0.52
MMP12 P39900 2/20 0.52
MMP1 P03956 1/20 0.52
LMNA P02545 2/20 0.51
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL30741601 0.87 IDO1 (0.61) MMP2MMP9MMP12MMP1LMNA
SCHEMBL3964905 0.87 IDO1 (0.61) MMP2MMP9MMP12MMP1LMNA
SCHEMBL7365088 0.86 HRH3 (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27574695 0.86 IDO1 (0.60) MMP2MMP9MMP12MMP1LMNA
SCHEMBL22939051 0.84 KDM4E (0.70) MMP2MMP9MMP12MMP1LMNA
SCHEMBL30147498 0.82 ALDH1A1 (0.52) MMP2MMP9MMP12MMP1LMNA
SCHEMBL7685975 0.82 RAB9A (0.59) MMP2MMP9MMP12MMP1LMNA
SCHEMBL4907791 0.81 ALOX15 (0.72) MMP2LMNAKMT2AKDM4EALDH1A1
SCHEMBL7681707 0.78 ALDH1A1 (0.71) MMP2MMP9MMP12MMP1LMNA
SCHEMBL6741064 0.78 KDM4E (0.56) MMP2MMP9MMP12MMP1LMNA

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 12 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
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-9199927-B2 Guanidinobenzoic acid compound ASTELLAS PHARMA INC. (JP) 2015-12-01 US 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
US-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-25 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
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

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 GRIN2D 3642/4885GRIN3B 2046/4885GRIN1 1712/4885

“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.