SCHEMBL3319664

SCHEMBL3319664

O=C(OCCBr)c1ccc(OC2CCN(C(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
CYP2C19 P33261 1/20 0.51
BCHE P06276 5/20 0.47
LMNA P02545 1/20 0.46
FAAH O00519 1/20 0.46
EPHX2 P34913 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SRD5A1 P18405 1/20 0.45
PDE4B Q07343 1/20 0.45
GRIN2B Q13224 3/20 0.45
HTT P42858 1/20 0.44
LNPEP Q9UIQ6 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
CHRM2 P08172 1/20 0.43

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
SCHEMBL1650184 0.86 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19LMNA
SCHEMBL1649138 0.86 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19LMNA
SCHEMBL23142005 0.84 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19LMNA
SCHEMBL21612929 0.83 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19LMNA
SCHEMBL13198831 0.82 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9ACYP2C19LMNA
SCHEMBL1648387 0.81 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19LMNA
SCHEMBL30120062 0.80 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19LMNA
SCHEMBL4717723 0.80 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL15531630 0.80 TDP1 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19BCHE
SCHEMBL6596647 0.79 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19LMNA

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-8227506-B2 Benzamidine compound AJINOMOTO., INC. (JP) 2012-07-24 US disclosed
US-20100105731-A2 NOVEL BENZAMIDINE COMPOUND AJINOMOTO CO., INC. (JP) 2010-04-29 US disclosed
US-20080021065-A1 NOVEL BENZAMIDINE COMPOUND AJINOMOTO CO. INC (JP) 2008-01-24 US disclosed
EP-1847527-A1 NOVEL BENZAMIDINE COMPOUND Ajinomoto Co., Inc. (JP) 2007-10-24 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 (2 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-20100105731-A2 NOVEL BENZAMIDINE COMPOUND SERPINC1, F11, TFPI SMN1; SMN2 1152/4885NPC1 4808/4885RAB9A 3489/4885
US-20080021065-A1 NOVEL BENZAMIDINE COMPOUND SERPINC1, F11, TFPI SMN1; SMN2 1152/4885NPC1 4808/4885RAB9A 3489/4885

“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.