SCHEMBL15876017

SCHEMBL15876017

O=C(O)Nc1ccc(OCc2ccccc2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 2/20 0.54
MRGPRX4 Q96LA9 2/20 0.52
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
S1PR1 P21453 1/20 0.50
PRKX P51817 1/20 0.50
ACVR1 Q04771 1/20 0.50
S1PR5 Q9H228 1/20 0.50
EPHB3 P54753 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL27960495 0.83 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4476253 0.82 MAOB (0.66) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL16355762 0.81 ALOX5 (0.51) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL15876088 0.81 S1PR1 (0.60) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1115026 0.78 MEN1 (0.67) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5108013 0.77 NPC1 (0.62) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3179547 0.77 PTGIR (0.49) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3183650 0.77 EPHB3 (0.50) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5063274 0.77 MEN1 (0.66) NPC1RAB9ASMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL9440728 0.77 MEN1 (0.66) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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
EP-2757093-B1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC (JP) 2016-12-07 EP 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

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 NPC1 3118/4885RAB9A 400/4885SMN1; SMN2 1384/4885

“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.