SCHEMBL3381353

SCHEMBL3381353

O=C(O)C(Cc1c[nH]c2ccccc12)NBr

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.67
ACE P12821 3/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
KDM4E B2RXH2 2/20 0.63
MAPT P10636 2/20 0.63
APAF1 O14727 1/20 0.63
POLB P06746 1/20 0.63
RECQL P46063 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
MEN1 O00255 1/20 0.63
LMNA P02545 1/20 0.63
MPO P05164 1/20 0.63
TSHR P16473 1/20 0.63
BLM P54132 1/20 0.63
PMP22 Q01453 1/20 0.63
KMT2A Q03164 1/20 0.63
HIF1A Q16665 1/20 0.63
FPR2 P25090 1/20 0.63
ITGB2 P05107 4/20 0.62
ICAM1 P05362 4/20 0.62

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
SCHEMBL3381356 1.00 ALOX15 (0.67) ALOX15ACESMN1; SMN2KDM4EMAPT
SCHEMBL30782236 0.88 ALOX15 (0.70) ALOX15ACESMN1; SMN2KDM4EMAPT
SCHEMBL170878 0.87 KDM4E (0.69) ALOX15ACESMN1; SMN2KDM4EMAPT
SCHEMBL2167226 0.87 ALOX15 (0.68) ALOX15ACESMN1; SMN2KDM4EMAPT
SCHEMBL170877 0.87 KDM4E (0.69) ALOX15ACESMN1; SMN2KDM4EMAPT
SCHEMBL1755294 0.87 ALOX15 (0.68) ALOX15ACESMN1; SMN2KDM4EMAPT
Konbamidin SCHEMBL6277606 0.86 ALOX15 (0.64) ALOX15ACESMN1; SMN2KDM4EMAPT
SCHEMBL5123004 0.86 ALOX15 (0.67) ALOX15ACESMN1; SMN2KDM4EMAPT
SCHEMBL5123003 0.86 ALOX15 (0.67) ALOX15ACESMN1; SMN2KDM4EMAPT
SCHEMBL1131419 0.86 ALOX15 (0.67) ALOX15ACESMN1; SMN2KDM4EMAPT

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
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO claimed
WO-2022097856-A1 PRODUCTION OF TYRIAN PURPLE CELL DYE BY USING ESCHERICHIA COLI AND DYEING METHOD USING SAME 서울대학교산학협력단 2022-05-12 WO disclosed
US-20170246311-A1 PEPTIDES FOR BINDING ALTERNATIVELY ACTIVATED MACROPHAGES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-31 US disclosed
CN-103649317-B Therapeutic fusion proteins SYNTAXIN LTD. (GB) 2015-10-21 CN disclosed
CN-104328100-A SUPPRESSION OF NEUROENDOCRINE DISEASES SYNTAXIN LTD 2015-02-04 CN disclosed
CN-103649317-A Therapeutic fusion proteins SYNTAXIN LTD 2014-03-19 CN disclosed
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO disclosed
WO-1998031705-A1 BROMO-TRYPTOPHAN CONOPEPTIDES UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 1998-07-23 WO disclosed
US-5734015-A ANTIBIOTICS MAGAININ PHARMACEUTICALS INC. (US) 1998-03-31 US disclosed
EP-0366549-A1 Derivatives of adenyl cyclase and biological use thereof INSTITUT PASTEUR (FR) 1990-05-02 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-20170246311-A1 PEPTIDES FOR BINDING ALTERNATIVELY ACTIVATED MACROPHAGES CD14, CD209, CD68 ALOX15 3158/4885ACE 3279/4885SMN1; SMN2 4554/4885

“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.