SCHEMBL629005

SCHEMBL629005

Cc1c(C(=O)O)cc(I)c(C(=O)O)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
LDHA P00338 2/20 0.36
LDHB P07195 2/20 0.36
TPMT P51580 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CYP3A4 P08684 1/20 0.35
ACHE P22303 1/20 0.35
TP53 P04637 1/20 0.35
NOTUM Q6P988 1/20 0.34
GPR35 Q9HC97 1/20 0.34
MAPK1 P28482 2/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL5262898 0.83 KDM4E (0.42) KDM4EKMT2AMEN1TDP1LDHA
SCHEMBL1568514 0.83 KDM4E (0.45) KDM4EKMT2AMEN1TDP1LDHA
SCHEMBL28133536 0.82 TPMT (0.43) KDM4EKMT2AMEN1TDP1LDHA
SCHEMBL14989172 0.80 KDM4E (0.47) KDM4EKMT2AMEN1TDP1LDHA
SCHEMBL31373145 0.80 KDM4E (0.47) KDM4EKMT2AMEN1TDP1LDHA
SCHEMBL537616 0.78 CYP3A4 (0.47) KDM4EKMT2AMEN1TDP1LDHA
SCHEMBL1913454 0.78 KDM4E (0.50) KDM4EKMT2AMEN1TDP1TPMT
SCHEMBL5268292 0.77 CYP3A4 (0.50) KDM4EKMT2AMEN1TDP1LDHA
SCHEMBL4655479 0.75 KDM4E (0.57) KDM4EKMT2AMEN1TDP1LDHA
SCHEMBL8467731 0.75 MYC (0.43) KDM4EKMT2AMEN1TDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0713502-B1 NAPHTHALENEDICARBOXYLIC ACID CONTAINING POLYMER/HALOGEN COMPOUND COMPOSITIONS HAVING REDUCED FLUORESCENCE EASTMAN CHEM CO (US) 1999-04-07 EP claimed
EP-0986384-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2012-02-22 EP disclosed
US-6693123-B2 (4-(3-PYRIDYLAMINOMETHYLENE)-2-PHENYLBENZOYL)-N -METHYLMETHIONINE, METHYL ESTER FOR EXAMPLE; RESTENOSIS, HYPERPLASIA UNIVERSITY OF PITTSBURGH 2004-02-17 US disclosed
US-20020193596-A1 Inhibitors of protein isoprenyl transferases UNIVERSITY OF PITTSBURGH (US) 2002-12-19 US disclosed
US-6310095-B1 INHIBITING OR TREATING CANCER, TREATING INTIMAL HYPERPLASIA ASSOCIATED WITH RESTENOSIS AND ATHEROSCLEROSIS, INHIBITING POST-TRANSLATIONAL MODIFICATION OF ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE AND/OR GERANYLGERANYLTRANSFERASE UNIVERSITY OF PITTSBURGH 2001-10-30 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-20020193596-A1 Inhibitors of protein isoprenyl transferases LANCL1, FNTB, DHCR7 KDM4E 3061/4885KMT2A 2967/4885MEN1 4823/4885

“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.