SCHEMBL628758

SCHEMBL628758

Cc1cccc(-c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.63
TSHR P16473 2/20 0.63
HSD17B10 Q99714 1/20 0.55
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPBWR1 P48145 1/20 0.54
MAPK14 Q16539 1/20 0.53
POLB P06746 2/20 0.50
MAPK1 P28482 1/20 0.50
HTR1A P08908 1/20 0.50
HTR7 P34969 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
APP P05067 1/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 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
SCHEMBL12360611 0.87 TSHR (0.78) ACHETSHRRAB9ANPC1MAPT
SCHEMBL4516641 0.82 TSHR (0.64) ACHETSHRRAB9ANPC1MAPT
SCHEMBL1036939 0.81 TSHR (0.63) ACHETSHRHSD17B10RAB9ANPC1
SCHEMBL628918 0.80 ACHE (0.86) ACHETSHRHSD17B10RAB9ANPC1
SCHEMBL6561397 0.79 ACHE (0.61) ACHETSHRHSD17B10RAB9ANPC1
SCHEMBL28044782 0.79 POLB (0.51) ACHETSHRHSD17B10RAB9ANPC1
Nitrobenzene SCHEMBL27856332 0.79 TSHR (0.77) ACHETSHRHSD17B10MAPTMEN1
SCHEMBL6848547 0.78 ALDH1A1 (0.66) ACHETSHRHSD17B10RAB9ANPC1
SCHEMBL2486973 0.78 TSHR (1.00) ACHETSHRHSD17B10NPC1MAPT
SCHEMBL92055 0.78 TSHR (1.00) ACHETSHRHSD17B10NPC1MAPT

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9573887-B2 Naphthalene derivative DAITO CHEMIX CORPORATION (JP) 2017-02-21 US disclosed
EP-2599771-B1 NAPHTHALENE DERIVATIVE DAITO CHEMIX CORP (JP) 2016-09-14 EP disclosed
US-20130184241-A1 Naphthalene Derivative KYOTO UNIVERSITY (JP) 2013-07-18 US disclosed
EP-2599771-A1 NAPHTHALENE DERIVATIVE Daito Chemix Corporation (JP) 2013-06-05 EP disclosed
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
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-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
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
US-5705686-A 3-MERCAPTO-2-AMINO-PROPYLAMINOBIPHENYL DERIVATIVES; PEPTIDOMIMETICS; ANTICARCINOGENIC AGENTS UNIVERSITY OF PITTSBURGH (US) 1998-01-06 US 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 (2 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 ACHE 3283/4885TSHR 2542/4885HSD17B10 37/4885
US-20130184241-A1 Naphthalene Derivative VCP, NOC2L, VAT1 ACHE 1077/4885TSHR 4474/4885HSD17B10 477/4885

“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.