SCHEMBL4909203

SCHEMBL4909203

O=C1NC(=O)c2c(CCCCCBr)cccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PARP1 P09874 4/20 0.37
CASP3 P42574 5/20 0.34
CASP7 P55210 2/20 0.34
CASP2 P42575 1/20 0.34
CASP6 P55212 1/20 0.34
CASP8 Q14790 1/20 0.34
GSK3A P49840 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
PDGFRA P16234 1/20 0.33
FER P16591 1/20 0.33
LTK P29376 1/20 0.33
CDK8 P49336 1/20 0.33

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
SCHEMBL133934 1.00 GSK3B (0.38) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL9152783 1.00 GSK3B (0.38) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL4206081 1.00 GSK3B (0.38) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL4026807 1.00 GSK3B (0.38) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL8938070 1.00 GSK3B (0.38) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL31036258 1.00 GSK3B (0.38) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL9151570 1.00 GSK3B (0.38) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL1234203 0.98 GSK3B (0.39) GSK3BKDM4EALDH1A1GAAHPGD
Phthalimide SCHEMBL8559536 0.97 GSK3B (0.44) GSK3BKDM4EALDH1A1GAAHPGD
Phthalimide SCHEMBL8558696 0.96 GSK3B (0.43) GSK3BKDM4EALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450348-B2 Such as 3-[6-(4-Chloro-phenoxy)-hexylamino]-4-(pyridin-4-ylamino)-cyclobut-3-ene-1,2-dione; cancer, tumors; reduced side effects FORMA TM, LLC (US) 2013-05-28 US disclosed
US-20080200523-A1 Derivatives of squaric acid with anti-proliferative activity Valo Health, LLC 2008-08-21 US disclosed
US-7235650-B2 Derivatized oligonucleotides having improved uptake and other properties ISIS PHARMACEUTICALS, INC. (US) 2007-06-26 US disclosed
US-7223833-B1 Peptide nucleic acid conjugates ISIS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-6919439-B2 Derivatized oligonucleotides having improved uptake and other properties ISIS PHARMACEUTICALS, INC. (US) 2005-07-19 US disclosed
US-20030175751-A1 Derivatized oligonucleotides having improved uptake and other properties MANOHARAN MUTHIAH (US) 2003-09-18 US disclosed
US-20030064492-A1 Derivatized oligonucleotides having improved uptake and other properties ISIS PHARMACEUTICALS, INC. 2003-04-03 US disclosed
EP-0804456-B1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS INC (US) 2002-08-21 EP disclosed
EP-0804456-A4 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS INC (US) 1999-05-19 EP disclosed
US-5864039-A THERAPEUTIC TREATMENT OF VARIOUS GASTROINTESTINAL DISEASES, CENTRAL NERVOUS DISORDERS, CARDIOVASCULAR DISORDERS, URINARY DISEASES, UROGENITAL DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-01-26 US disclosed
EP-0804456-A1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1997-11-05 EP disclosed
EP-0774460-A1 BENZOIC ACID COMPOUND AND USE THEREOF AS MEDICINE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-05-21 EP disclosed
WO-1996011205-A9 PEPTIDE NUCLEIC ACID CONJUGATES 1996-05-30 WO disclosed
WO-1996011205-A1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1996-04-18 WO disclosed
US-5424451-A Used as cholinesterase activity inhibitors MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1995-06-13 US disclosed
US-5302593-A Aminoalkylcarbamic esters of eseroline suitable for use as chlorinesterase activity inhibitors MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1994-04-12 US disclosed
EP-0575954-A1 Aminoalkylcarbamic esters of eseroline suitable for use as cholinesterase acitivity inhibitors and relative preparation process MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1993-12-29 EP disclosed
WO-1992014709-A2 CALCIUM CHANNEL ANTAGONISTS AND METHODOLOGY FOR THEIR IDENTIFICATION CAMBRIDGE NEUROSCIENCE, INC. (US) 1992-09-03 WO disclosed
US-4705892-A Process for preparing alpha,omega-diamino acids MERCK & CO., INC. (US) 1987-11-10 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-20080200523-A1 Derivatives of squaric acid with anti-proliferative activity SQLE, FDFT1, DLD GSK3B 254/4885KDM4E 2621/4885ALDH1A1 690/4885

“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.