SCHEMBL628399

SCHEMBL628399

COc1cc([N+](=O)[O-])ccc1-c1cccc(C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.61
AKR1C2 P52895 2/20 0.61
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 1/20 0.59
MAPT P10636 1/20 0.59
HPGD P15428 1/20 0.59
TP53 P04637 1/20 0.56
TTR P02766 1/20 0.53
EPHX1 P07099 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 2/20 0.50
PKM P14618 1/20 0.50
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
PGGT1B P53609 1/20 0.50
SETD7 Q8WTS6 1/20 0.49
XPA P23025 1/20 0.49
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL2050383 0.85 TTR (0.56) AKR1C3AKR1C2KDM4EALDH1A1MAPT
SCHEMBL2050386 0.85 TTR (0.56) AKR1C3AKR1C2KDM4EALDH1A1MAPT
SCHEMBL12844716 0.85 TUBB4A (0.51) AKR1C3AKR1C2KDM4EALDH1A1MAPT
SCHEMBL8111057 0.84 AKR1C3 (0.53) AKR1C3AKR1C2KDM4EALDH1A1MAPT
SCHEMBL7546319 0.84 TP53 (0.56) AKR1C3AKR1C2KDM4EALDH1A1MAPT
SCHEMBL3185913 0.83 HTT (0.58) AKR1C3AKR1C2ALDH1A1HPGDEPHX1
SCHEMBL4911728 0.83 TTR (0.60) AKR1C3AKR1C2KDM4EALDH1A1MAPT
SCHEMBL630090 0.81 AKR1C3 (0.56) AKR1C3AKR1C2KDM4EALDH1A1MAPT
SCHEMBL12844721 0.81 TTR (0.51) AKR1C3AKR1C2ALDH1A1MAPTHPGD
SCHEMBL4171948 0.80 CYP2C8 (0.69) KDM4EALDH1A1MAPTTP53MEN1

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
EP-0986384-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2012-02-22 EP disclosed
EP-0986384-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2004-09-15 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
US-6221865-B1 INHIBITORS OF PROTEIN FARNESYLTRANSFERASE AND PROTEIN GERANYLGERANYLTRANSFERASE. UNIVERSITY OF PITTSBURGH 2001-04-24 US disclosed
US-6204293-B1 INHIBITING POST-TRANSLATIONAL MODIFICATION OF THE ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE, PROTEIN GERANYLGERANYLTRANSFERASE, OR BOTH UNIVERSITY OF PITTSBURGH 2001-03-20 US disclosed
EP-0986384-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 2000-03-22 EP disclosed
US-6011175-A Inhibition of farnesyltransferase UNIVERSITY OF PITTSBURGH (US) 2000-01-04 US disclosed
US-5965539-A PEPTIDOMIMETICS; ANTI-CANCER DRUGS UNIVERISTY OF PITTSBURGH (US) 1999-10-12 US disclosed
EP-0794789-A4 INHIBITORS OF PRENYL TRANSFERASES UNIV PITTSBURGH (US) 1999-05-26 EP disclosed
EP-0873123-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 1999-02-03 EP disclosed
WO-1998050029-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed
WO-1998050031-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed
WO-1998050030-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed
EP-0873123-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-10-28 EP disclosed
EP-0794789-A1 INHIBITORS OF PRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1997-09-17 EP disclosed
WO-1997017070-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1997-05-15 WO disclosed
WO-1996021456-A1 INHIBITORS OF PRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1996-07-18 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 (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 AKR1C3 276/4885AKR1C2 336/4885KDM4E 3061/4885

“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.