SCHEMBL5213532

SCHEMBL5213532

NC(=O)c1ncc(C(=O)c2cccc(Br)c2)o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.54
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
C1S P09871 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
PARP15 Q460N3 1/20 0.41
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PKM P14618 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CTSL P07711 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL5213541 0.84 PARP1 (0.47) PARP1MEN1KMT2AGAAMAPT
SCHEMBL5210936 0.83 CES1 (0.48) PARP1MEN1KMT2AGAAMAPT
SCHEMBL5217327 0.75 NPC1 (0.47) MAPTMAOBSMN1; SMN2PARP10NPC1
SCHEMBL16803128 0.72 PARP1 (1.00) PARP1GAAMAPTTDP1L3MBTL1
SCHEMBL163949 0.72 PARP1 (1.00) PARP1GAAMAPTTDP1L3MBTL1
SCHEMBL241785 0.72 PARP1 (0.68) PARP1MEN1KMT2AGAAMAPT
SCHEMBL30153175 0.72 PARP1 (0.68) PARP1MEN1KMT2AGAAMAPT
Hydrochloric Acid SCHEMBL5319538 0.70 PARP1 (0.96) PARP1GAAMAPTTDP1L3MBTL1
Hydrochloric Acid SCHEMBL4376137 0.70 PARP1 (0.96) PARP1GAAMAPTTDP1L3MBTL1
Hydrochloric Acid SCHEMBL29156127 0.70 FAAH (0.49) L3MBTL1SMN1; SMN2HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1653952-A4 OXAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2007-04-04 EP claimed
US-7112599-B2 Oxazole compounds for the treatment of neurodegenerative disorders PFIZER INC. (US) 2006-09-26 US claimed
EP-1653952-A2 OXAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP claimed
WO-2005016267-A2 OXAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2005-02-24 WO claimed
US-20050032859-A1 Oxazole compounds for the treatment of neurodegenerative disorders PFIZER INC. (US) 2005-02-10 US claimed
EP-1653952-A4 OXAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2007-04-04 EP disclosed
US-7112599-B2 Oxazole compounds for the treatment of neurodegenerative disorders PFIZER INC. (US) 2006-09-26 US disclosed
EP-1653952-A2 OXAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP disclosed
WO-2005016267-A2 OXAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2005-02-24 WO disclosed
US-20050032859-A1 Oxazole compounds for the treatment of neurodegenerative disorders PFIZER INC. (US) 2005-02-10 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-20050032859-A1 Oxazole compounds for the treatment of neurodegenerative disorders APP, OXA1L, BACE1 PARP1 2997/4885MEN1 1222/4885KMT2A 4323/4885

“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.