SCHEMBL2839451

SCHEMBL2839451

COC(=O)c1ccc(Oc2ccc(CBr)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
MAPT P10636 6/20 0.56
LOXL2 Q9Y4K0 1/20 0.56
CYP4A11 Q02928 2/20 0.51
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP4F2 P78329 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
STS P08842 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL33494 0.91 LOXL2 (0.66) CA1CA2MAPTLOXL2CYP4A11
SCHEMBL4050879 0.89 LOXL2 (0.63) CA1CA2MAPTLOXL2CYP4A11
Bromide SCHEMBL4809006 0.89 LOXL2 (0.63) CA1CA2MAPTLOXL2CYP4A11
SCHEMBL17946943 0.86 CA1 (0.60) CA1CA2MAPTLOXL2CYP4A11
SCHEMBL9234845 0.86 CA1 (0.60) CA1CA2MAPTLOXL2CYP4A11
SCHEMBL7021444 0.86 LOXL2 (0.59) CA1CA2MAPTLOXL2CYP4A11
SCHEMBL1774489 0.86 LOXL2 (0.59) CA1CA2MAPTLOXL2CYP4A11
SCHEMBL69218 0.85 CA1 (0.75) CA1CA2MAPTLOXL2RAB9A
SCHEMBL4597965 0.84 CA1 (0.58) CA1CA2MAPTLOXL2CYP4A11
SCHEMBL8026628 0.83 CA12 (0.54) CA1CA2MAPTCYP4A11RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250346549-A2 NOVEL AROMATIC MOLECULES Xeniopro GmbH (DE) 2025-11-13 US disclosed
US-20250084023-A2 NOVEL AROMATIC MOLECULES Xeniopro GmbH (DE) 2025-03-13 US disclosed
US-20240140895-A1 NOVEL AROMATIC MOLECULES Xeniopro GmbH (DE) 2024-05-02 US disclosed
US-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2010-07-01 US disclosed
US-7696231-B2 Oxindole hydrazide modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2010-04-13 US disclosed
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed
US-20050043388-A1 Oxindole hydrazide modulators of protein tyrosine phosphatases (ptps) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. 2005-02-24 US disclosed
EP-1439834-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-07-28 EP disclosed
WO-2003037328-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2003-05-08 WO 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 (6 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-20050043388-A1 Oxindole hydrazide modulators of protein tyrosine phosphatases (ptps) PTPRO, PTPRE, PTPRZ1 CA1 3724/4885CA2 3098/4885MAPT 4427/4885
US-20250084023-A2 NOVEL AROMATIC MOLECULES AHR, TYR, MUSK CA1 4876/4885CA2 4410/4885MAPT 2300/4885
US-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 CA1 3985/4885CA2 3388/4885MAPT 3432/4885
US-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) PTPRO, PTPRE, PTPRZ1 CA1 3729/4885CA2 3079/4885MAPT 4446/4885
US-20250346549-A2 NOVEL AROMATIC MOLECULES AHR, TYR, MUSK CA1 4876/4885CA2 4410/4885MAPT 2300/4885
US-20240140895-A1 NOVEL AROMATIC MOLECULES AHR, TYR, MUSK CA1 4876/4885CA2 4410/4885MAPT 2300/4885

“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.