SCHEMBL630056

SCHEMBL630056

Cc1cc(C)cc(-c2cc([N+](=O)[O-])ccc2C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
CYP3A4 P08684 1/20 0.54
ALOX15 P16050 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAPT P10636 2/20 0.50
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 1/20 0.46
MYC P01106 1/20 0.45
MAX P61244 1/20 0.45
SORT1 Q99523 1/20 0.44
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
HSP90AA1 P07900 1/20 0.43

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
SCHEMBL8507703 0.92 ALDH1A1 (0.47) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL5696813 0.88 ALDH1A1 (0.54) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL5696845 0.87 MAPT (0.56) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL9474889 0.84 ALDH1A1 (0.60) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL10605676 0.84 ALDH1A1 (0.68) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL7824186 0.84 ALDH1A1 (0.68) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL31376933 0.83 MYC (0.62) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL630072 0.83 MYC (0.62) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL29029525 0.82 ALDH1A1 (0.62) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL6624800 0.81 MYC (0.54) ALDH1A1CYP3A4ALOX15TDP1MAPT

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 17 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
EP-0873123-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2003-04-09 EP 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-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
WO-1998050030-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO 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
US-5834434-A PEPTIDOMIMETICS UNIVERSITY OF PITTSBURGH (US) 1998-11-10 US disclosed
EP-0794789-A1 INHIBITORS OF PRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1997-09-17 EP 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 ALDH1A1 1121/4885CYP3A4 2899/4885ALOX15 846/4885

“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.