SCHEMBL852419

SCHEMBL852419

O=C(O)c1ccc2cc(I)ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.60
KDM4E B2RXH2 3/20 0.55
GRIN2D O15399 2/20 0.49
GRIN2A Q12879 2/20 0.49
GRIN2C Q14957 2/20 0.49
PTPN1 P18031 2/20 0.46
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
ENPP2 Q13822 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL18758 0.86 KDM4E (0.68) KDM4EGRIN2DGRIN2AGRIN2CPTPN1
SCHEMBL29594563 0.86 KDM4E (0.68) KDM4EGRIN2DGRIN2AGRIN2CPTPN1
SCHEMBL6916181 0.86 KDM4E (0.68) KDM4EGRIN2DGRIN2AGRIN2CPTPN1
SCHEMBL29359975 0.86 KDM4E (0.68) KDM4EGRIN2DGRIN2AGRIN2CPTPN1
Hydrochloric Acid SCHEMBL945629 0.84 KDM4E (0.65) KDM4EGRIN2DGRIN2AGRIN2CPTPN1
SCHEMBL1886411 0.84 KDM4E (0.65) KDM4EGRIN2DGRIN2AGRIN2CPTPN1
SCHEMBL6666460 0.84 KDM4E (0.65) KDM4EGRIN2DGRIN2AGRIN2CPTPN1
Potassium SCHEMBL9719670 0.84 KDM4E (0.65) KDM4EGRIN2DGRIN2AGRIN2CPTPN1
SCHEMBL20942846 0.84 KDM4E (0.65) KDM4EGRIN2DGRIN2AGRIN2CPTPN1
Terephthalic Acid SCHEMBL2846917 0.84 TSHR (0.67) TPMTKDM4EPTPN1TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100413882-C Linear basic compounds having NK-2 antagonistic activity and formulations thereof MENARINI RICERCHE SPA (IT) 2008-08-27 CN claimed
CN-1578786-A Linear basic compounds having NK-2 antagonistic activity and formulations thereof MENARINI RICERCHE SPA (IT) 2005-02-09 CN claimed
US-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof MALESCI INSTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2004-12-23 US claimed
WO-2023164680-A1 6-OXODECAHYDROPYRROLO[1,2-A][1,5]DIAZOCINE AND 6-OXODECAHYDRO-4H-PYRROLO[2,1-D][1,5]THIAZOCINE DERIVATIVES AS STAT3 AND STAT6 MODULATORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY CONDITIONS RECLUDIX PHARMA, INC. (US) 2023-08-31 WO disclosed
US-10308595-B2 Albicidin derivatives, their use and synthesis Technische Universität Berlin (DE) 2019-06-04 US disclosed
EP-2139838-B1 A PROCESS FOR THE PREPARATION OF 6-[3-(1-ADAMANTYL)-4-METHOXYPHENYL]-2-NAPHTOIC ACID GRINDEKS JSC (LV) 2012-03-28 EP disclosed
WO-2012019106-A2 POSITIVE AND NEGATIVE MODULATORS OF NMDA RECEPTORS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2012-02-09 WO disclosed
US-20100160677-A1 PROCESS FOR PREPARATION OF 6-[3-(1-ADMANTYL)-4-METHOXYPHENYL]-2-NAPHTOIC ACID. JSC GRINDEKS (LV) 2010-06-24 US disclosed
EP-2139838-A2 A PROCESS FOR THE PREPARATION OF 6-Ý3-(1-ADAMANTYL)-4-METHOXYPHENYL-2-NAPHTOIC ACID Grindeks, a joint stock company (LV) 2010-01-06 EP disclosed
WO-2009105825-A1 3-SUBSTITUTED-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MIMETICA PTY LTD (AU) 2009-09-03 WO disclosed
CN-100413882-C Linear basic compounds having NK-2 antagonistic activity and formulations thereof MENARINI RICERCHE SPA (IT) 2008-08-27 CN disclosed
WO-2008080992-A2 A PROCESS FOR THE PREPARATION OF 6-[3-(1-ADAMANTYL)-4-METHOXYPHENYL-2-NAPHTOIC ACID KALVINSH IVARS (LV) 2008-07-10 WO disclosed
US-7273856-B2 Linear basic compounds having NK-2 antagonist activity and formulations thereof MENARINI RICERCHE S.P.A. (IT) 2007-09-25 US disclosed
EP-1442050-B1 LINEAR BASIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTIVITY AND FORMULATIONS THEREOF MALESCI SAS (IT) 2006-09-13 EP disclosed
CN-1578786-A Linear basic compounds having NK-2 antagonistic activity and formulations thereof MENARINI RICERCHE SPA (IT) 2005-02-09 CN disclosed
US-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof MALESCI INSTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2004-12-23 US disclosed
EP-1442050-A2 LINEAR BASIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTIVITY AND FORMULATIONS THEREOF MALESCI ISTITUTO FARMACOBIOLOGICO S.p.A. (IT) 2004-08-04 EP disclosed
WO-2003037916-A2 LINEAR BASIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTIVITY AND FORMULATIONS THEREOF MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A. (IT) 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 (3 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-10308595-B2 Albicidin derivatives, their use and synthesis MB, ALB, BCAT2 TPMT 332/4885KDM4E 4141/4885GRIN2D 1850/4885
US-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof BDKRB2, BDKRB1, TACR2 TPMT 4189/4885KDM4E 3285/4885GRIN2D 282/4885
US-20100160677-A1 PROCESS FOR PREPARATION OF 6-[3-(1-ADMANTYL)-4-METHOXYPHENYL]-2-NAPHTOIC ACID. ME1, CD274, PDCD1LG2 TPMT 1539/4885KDM4E 2797/4885GRIN2D 512/4885

“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.