SCHEMBL595158

SCHEMBL595158

O=C(O)Nc1cccc(OCc2cccc(Br)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.64
MRGPRX4 Q96LA9 1/20 0.61
NPC1 O15118 1/20 0.57
ALDH1A1 P00352 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
F10 P00742 1/20 0.56
MAOA P21397 3/20 0.56
FFAR1 O14842 1/20 0.55
FFAR4 Q5NUL3 1/20 0.55
PARP15 Q460N3 1/20 0.54
PARP14 Q460N5 1/20 0.54
PARP10 Q53GL7 1/20 0.54
PARP1 P09874 1/20 0.53
NR1H4 Q96RI1 1/20 0.53
LRRK2 Q5S007 1/20 0.53

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
SCHEMBL10599343 0.88 MAOB (0.70) MAOBMRGPRX4NPC1ALDH1A1RAB9A
SCHEMBL5249717 0.87 NR1H4 (0.65) MAOBNPC1RAB9AFFAR1NR1H4
SCHEMBL595941 0.83 MAOB (0.59) MAOBMRGPRX4NPC1ALDH1A1RAB9A
SCHEMBL4404036 0.79 MAOB (1.00) MAOBMRGPRX4NPC1ALDH1A1RAB9A
SCHEMBL26110078 0.78 BACE1 (0.49) MAOBMRGPRX4MAOANR1H4
SCHEMBL13469158 0.77 MAOB (0.82) MAOBMRGPRX4MAOAFFAR1FFAR4
SCHEMBL28390021 0.77 MEN1 (0.71) MAOBNPC1RAB9ANR1H4
SCHEMBL1400845 0.77 GAA (0.62) MAOBNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL9538429 0.76 MRGPRX4 (1.00) MAOBMRGPRX4NPC1ALDH1A1RAB9A
SCHEMBL8119011 0.76 SIRT2 (0.64) MAOBNPC1RAB9AFFAR1NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
CN-102325531-A Compounds and methods of use GENENTECH INC 2012-01-18 CN disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 US 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-20100190782-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX MAOB 415/4885MRGPRX4 1304/4885NPC1 3311/4885

“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.