SCHEMBL630090

SCHEMBL630090

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.56
AKR1C2 P52895 1/20 0.56
TSHR P16473 1/20 0.54
ACHE P22303 1/20 0.54
HTT P42858 2/20 0.53
PKM P14618 1/20 0.51
MAPT P10636 6/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPBWR1 P48145 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47

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
SCHEMBL3185913 0.85 HTT (0.58) AKR1C3AKR1C2HTTPKMRAB9A
SCHEMBL628399 0.81 AKR1C3 (0.61) AKR1C3AKR1C2HTTPKMMAPT
SCHEMBL11096077 0.81 TSHR (0.56) TSHRACHEMAPTCYP1A2CYP2C9
SCHEMBL3466908 0.80 TSHR (0.54) AKR1C3AKR1C2TSHRACHEHTT
SCHEMBL16076893 0.79 AKR1C3 (0.65) AKR1C3AKR1C2TSHRCYP1A2CYP3A4
SCHEMBL1492729 0.78 KMT2A (0.50) AKR1C3AKR1C2HTTPKMMAPT
SCHEMBL3787713 0.78 AKR1C3 (0.60) AKR1C3AKR1C2HTTMAPTKDM4E
SCHEMBL7632075 0.77 HTT (0.55) AKR1C3AKR1C2HTTPKMMAPT
SCHEMBL11697350 0.77 HTT (0.55) AKR1C3AKR1C2HTTPKMSMN1; SMN2
SCHEMBL31061810 0.77 CYP19A1 (0.62) AKR1C3AKR1C2HTTPKMNPC1

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 14 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
EP-0873123-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 1999-02-03 EP disclosed
WO-1998050030-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-1998050029-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
WO-1997017070-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1997-05-15 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 336/4885TSHR 2542/4885

“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.